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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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/Bmotif_short1-4680c2f0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short1-4680c2f0/inputs/seq.fa: 1
curr_seq: _AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUC
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 49 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: 250
n_atoms_counter: 250
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 49.000000 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: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -192.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.772922 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -191.055671
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -21.585
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -291.849942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.849942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.849942 (E_RNA)
where:
Base-Base interactions energy: -136.318
where: short stacking energy: -135.217
Base-Backbone interact. energy: -0.161
local terms energy: -155.370995
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -33.032
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -19.117
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -266.733166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.733166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.733166 (E_RNA)
where:
Base-Base interactions energy: -115.351
where: short stacking energy: -103.240
Base-Backbone interact. energy: -0.047
local terms energy: -151.335516
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -28.266
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -272.983755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.983755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.983755 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -102.167
Base-Backbone interact. energy: -0.051
local terms energy: -136.528633
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -19.122
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -246.939863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.939863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.939863 (E_RNA)
where:
Base-Base interactions energy: -121.293
where: short stacking energy: -74.044
Base-Backbone interact. energy: -1.481
local terms energy: -124.165893
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -17.384
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -198.036018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.036018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.036018 (E_RNA)
where:
Base-Base interactions energy: -71.189
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.087
local terms energy: -126.760150
where:
bonds (distance) C4'-P energy: -35.240
bonds (distance) P-C4' energy: -29.858
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -22.097
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -207.576515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.576515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.576515 (E_RNA)
where:
Base-Base interactions energy: -81.510
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.795
local terms energy: -125.271845
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -6.055
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -191.898299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.898299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.898299 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -190.181047
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -21.492
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -191.898299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.898299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.898299 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -190.181047
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -21.492
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -191.935541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935541 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -190.218289
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -21.492
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -191.935541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935541 (E_RNA)
where:
Base-Base interactions energy: -1.717
where: short stacking energy: -1.717
Base-Backbone interact. energy: -0.000
local terms energy: -190.218289
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -21.492
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -306.050066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.050066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.050066 (E_RNA)
where:
Base-Base interactions energy: -160.878
where: short stacking energy: -120.764
Base-Backbone interact. energy: -0.215
local terms energy: -144.957525
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -34.222
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -23.639
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -301.040148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.040148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040148 (E_RNA)
where:
Base-Base interactions energy: -152.354
where: short stacking energy: -117.036
Base-Backbone interact. energy: -1.084
local terms energy: -147.601918
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -31.970
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -292.105986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.105986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.105986 (E_RNA)
where:
Base-Base interactions energy: -146.192
where: short stacking energy: -96.818
Base-Backbone interact. energy: -0.234
local terms energy: -145.680527
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -20.926
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -245.552147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.552147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.552147 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -77.828
Base-Backbone interact. energy: 0.256
local terms energy: -123.716377
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -17.312
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: 3
Temperature: 1.100000
Total energy: -199.940181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.940181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.940181 (E_RNA)
where:
Base-Base interactions energy: -92.513
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.662
local terms energy: -106.764529
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: 6.935
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -304.029663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.029663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.029663 (E_RNA)
where:
Base-Base interactions energy: -171.839
where: short stacking energy: -84.880
Base-Backbone interact. energy: 2.436
local terms energy: -134.626396
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -31.087
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -18.546
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -185.933697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.933697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.933697 (E_RNA)
where:
Base-Base interactions energy: -80.550
where: short stacking energy: -55.280
Base-Backbone interact. energy: -0.476
local terms energy: -104.907887
where:
bonds (distance) C4'-P energy: -27.841
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -28.007
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -3.551
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -214.345145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.345145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.345145 (E_RNA)
where:
Base-Base interactions energy: -112.604
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.256
local terms energy: -101.484603
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -9.173
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -159.828861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.828861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.828861 (E_RNA)
where:
Base-Base interactions energy: -70.725
where: short stacking energy: -45.076
Base-Backbone interact. energy: -0.453
local terms energy: -88.650625
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: 3.405
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -136.973984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.973984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.973984 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.440
local terms energy: -95.619656
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: 6.641
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -305.441840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.441840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.441840 (E_RNA)
where:
Base-Base interactions energy: -147.726
where: short stacking energy: -126.079
Base-Backbone interact. energy: -0.171
local terms energy: -157.545149
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -32.010
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -39.611
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: 4
Temperature: 0.950000
Total energy: -314.341275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.341275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.341275 (E_RNA)
where:
Base-Base interactions energy: -163.134
where: short stacking energy: -124.649
Base-Backbone interact. energy: 0.184
local terms energy: -151.391129
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -37.156
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -39.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -336.994538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.994538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.994538 (E_RNA)
where:
Base-Base interactions energy: -194.236
where: short stacking energy: -115.297
Base-Backbone interact. energy: -1.336
local terms energy: -141.422719
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -29.766
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -340.507648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.507648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.507648 (E_RNA)
where:
Base-Base interactions energy: -203.591
where: short stacking energy: -114.686
Base-Backbone interact. energy: -0.174
local terms energy: -136.742589
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -29.058
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -317.639838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.639838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.639838 (E_RNA)
where:
Base-Base interactions energy: -177.940
where: short stacking energy: -93.290
Base-Backbone interact. energy: -0.169
local terms energy: -139.530958
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -22.565
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -211.570311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.570311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.570311 (E_RNA)
where:
Base-Base interactions energy: -111.045
where: short stacking energy: -67.765
Base-Backbone interact. energy: 0.513
local terms energy: -101.038346
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -289.984737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.984737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.984737 (E_RNA)
where:
Base-Base interactions energy: -169.873
where: short stacking energy: -94.087
Base-Backbone interact. energy: -0.447
local terms energy: -119.664078
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -11.450
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -163.459160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.459160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.459160 (E_RNA)
where:
Base-Base interactions energy: -51.053
where: short stacking energy: -45.871
Base-Backbone interact. energy: -2.148
local terms energy: -110.257682
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: 4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -147.947863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.947863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.947863 (E_RNA)
where:
Base-Base interactions energy: -57.845
where: short stacking energy: -53.150
Base-Backbone interact. energy: -0.137
local terms energy: -89.966236
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: 5.403
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -158.414970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.414970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.414970 (E_RNA)
where:
Base-Base interactions energy: -68.811
where: short stacking energy: -35.702
Base-Backbone interact. energy: -0.237
local terms energy: -89.367110
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: 2.486
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -350.823724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.823724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.823724 (E_RNA)
where:
Base-Base interactions energy: -188.200
where: short stacking energy: -97.794
Base-Backbone interact. energy: 0.031
local terms energy: -162.653913
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -36.999
flat angles C4'-P-C4' energy: -36.572
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -370.792823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.792823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.792823 (E_RNA)
where:
Base-Base interactions energy: -209.930
where: short stacking energy: -114.490
Base-Backbone interact. energy: -1.867
local terms energy: -158.995818
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -37.238
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -279.142873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.142873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.142873 (E_RNA)
where:
Base-Base interactions energy: -143.804
where: short stacking energy: -86.921
Base-Backbone interact. energy: -0.713
local terms energy: -134.625868
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -348.797902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.797902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.797902 (E_RNA)
where:
Base-Base interactions energy: -216.782
where: short stacking energy: -103.869
Base-Backbone interact. energy: -0.751
local terms energy: -131.264926
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -27.998
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -337.509860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.509860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.509860 (E_RNA)
where:
Base-Base interactions energy: -199.610
where: short stacking energy: -98.635
Base-Backbone interact. energy: -0.405
local terms energy: -137.494987
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -22.338
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -315.716134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.716134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.716134 (E_RNA)
where:
Base-Base interactions energy: -175.613
where: short stacking energy: -98.751
Base-Backbone interact. energy: -0.207
local terms energy: -139.896670
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -219.874713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.874713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874713 (E_RNA)
where:
Base-Base interactions energy: -110.714
where: short stacking energy: -74.472
Base-Backbone interact. energy: -0.740
local terms energy: -108.419992
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -171.966336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.966336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.966336 (E_RNA)
where:
Base-Base interactions energy: -55.810
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.743
local terms energy: -115.413660
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -12.519
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: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -161.972158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.972158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.972158 (E_RNA)
where:
Base-Base interactions energy: -82.992
where: short stacking energy: -55.431
Base-Backbone interact. energy: 2.050
local terms energy: -81.030414
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: 4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -180.807331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.807331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.807331 (E_RNA)
where:
Base-Base interactions energy: -96.622
where: short stacking energy: -63.131
Base-Backbone interact. energy: -1.785
local terms energy: -82.400038
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -1.649
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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -407.458362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.458362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.458362 (E_RNA)
where:
Base-Base interactions energy: -255.483
where: short stacking energy: -124.175
Base-Backbone interact. energy: -0.632
local terms energy: -151.343926
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -32.917
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: -31.046
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -325.825165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.825165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.825165 (E_RNA)
where:
Base-Base interactions energy: -176.518
where: short stacking energy: -105.901
Base-Backbone interact. energy: -0.409
local terms energy: -148.897438
where:
bonds (distance) C4'-P energy: -39.002
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -24.316
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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -381.530097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.530097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.530097 (E_RNA)
where:
Base-Base interactions energy: -252.120
where: short stacking energy: -114.100
Base-Backbone interact. energy: -1.208
local terms energy: -128.202187
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -17.300
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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -339.554824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.554824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.554824 (E_RNA)
where:
Base-Base interactions energy: -198.609
where: short stacking energy: -94.676
Base-Backbone interact. energy: -1.631
local terms energy: -139.314832
where:
bonds (distance) C4'-P energy: -31.422
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -28.970
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -28.747
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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -330.885061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.885061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.885061 (E_RNA)
where:
Base-Base interactions energy: -196.376
where: short stacking energy: -101.303
Base-Backbone interact. energy: -0.487
local terms energy: -134.021648
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -26.869
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: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -325.457649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.457649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.457649 (E_RNA)
where:
Base-Base interactions energy: -201.838
where: short stacking energy: -104.363
Base-Backbone interact. energy: 0.166
local terms energy: -123.785492
where:
bonds (distance) C4'-P energy: -28.243
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -200.945665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.945665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945665 (E_RNA)
where:
Base-Base interactions energy: -80.511
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.159
local terms energy: -120.275168
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -16.373
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: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -170.558036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.558036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.558036 (E_RNA)
where:
Base-Base interactions energy: -55.049
where: short stacking energy: -47.496
Base-Backbone interact. energy: 2.392
local terms energy: -117.900689
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -14.316
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -272.519455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.519455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.519455 (E_RNA)
where:
Base-Base interactions energy: -163.143
where: short stacking energy: -89.017
Base-Backbone interact. energy: -0.418
local terms energy: -108.958048
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -19.062
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -139.547913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.547913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.547913 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -29.963
Base-Backbone interact. energy: 1.561
local terms energy: -94.026661
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -15.409
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -372.507275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.507275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.507275 (E_RNA)
where:
Base-Base interactions energy: -216.758
where: short stacking energy: -111.737
Base-Backbone interact. energy: -0.287
local terms energy: -155.462181
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -27.775
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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -404.003545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.003545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.003545 (E_RNA)
where:
Base-Base interactions energy: -243.555
where: short stacking energy: -140.915
Base-Backbone interact. energy: -0.583
local terms energy: -159.865980
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -34.365
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -38.340
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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -299.435186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.435186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.435186 (E_RNA)
where:
Base-Base interactions energy: -180.901
where: short stacking energy: -98.065
Base-Backbone interact. energy: -1.240
local terms energy: -117.294416
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -20.405
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -364.053804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.053804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.053804 (E_RNA)
where:
Base-Base interactions energy: -232.614
where: short stacking energy: -110.610
Base-Backbone interact. energy: -0.465
local terms energy: -130.974040
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -29.452
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -28.016
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: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -369.024101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.024101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.024101 (E_RNA)
where:
Base-Base interactions energy: -239.940
where: short stacking energy: -113.299
Base-Backbone interact. energy: -0.972
local terms energy: -128.112704
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -25.226
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: 7
Temperature: 1.150000
Total energy: -367.781857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.781857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.781857 (E_RNA)
where:
Base-Base interactions energy: -230.276
where: short stacking energy: -103.359
Base-Backbone interact. energy: -0.337
local terms energy: -137.169102
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -164.174151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.174151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.174151 (E_RNA)
where:
Base-Base interactions energy: -58.378
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.583
local terms energy: -105.213721
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -258.682723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.682723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.682723 (E_RNA)
where:
Base-Base interactions energy: -143.869
where: short stacking energy: -80.209
Base-Backbone interact. energy: -1.125
local terms energy: -113.688078
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -168.951503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.951503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.951503 (E_RNA)
where:
Base-Base interactions energy: -59.933
where: short stacking energy: -59.055
Base-Backbone interact. energy: 3.402
local terms energy: -112.421138
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -35.566
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -157.606599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.606599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.606599 (E_RNA)
where:
Base-Base interactions energy: -56.440
where: short stacking energy: -31.678
Base-Backbone interact. energy: 2.073
local terms energy: -103.239278
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -13.638
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -442.905338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.905338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.905338 (E_RNA)
where:
Base-Base interactions energy: -289.106
where: short stacking energy: -144.825
Base-Backbone interact. energy: 0.424
local terms energy: -154.222863
where:
bonds (distance) C4'-P energy: -30.979
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -37.447
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: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -376.080903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.080903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.080903 (E_RNA)
where:
Base-Base interactions energy: -235.790
where: short stacking energy: -106.633
Base-Backbone interact. energy: -1.020
local terms energy: -139.271305
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -36.720
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -373.400307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.400307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.400307 (E_RNA)
where:
Base-Base interactions energy: -230.632
where: short stacking energy: -126.143
Base-Backbone interact. energy: -0.880
local terms energy: -141.888496
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -31.039
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: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -254.812836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.812836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.812836 (E_RNA)
where:
Base-Base interactions energy: -147.228
where: short stacking energy: -75.408
Base-Backbone interact. energy: -0.120
local terms energy: -107.465427
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -15.192
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: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -385.328684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.328684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.328684 (E_RNA)
where:
Base-Base interactions energy: -240.194
where: short stacking energy: -122.620
Base-Backbone interact. energy: -0.350
local terms energy: -144.784511
where:
bonds (distance) C4'-P energy: -30.746
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -30.127
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -340.488679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.488679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.488679 (E_RNA)
where:
Base-Base interactions energy: -201.190
where: short stacking energy: -108.885
Base-Backbone interact. energy: 0.008
local terms energy: -139.307262
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -26.413
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -240.953680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.953680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.953680 (E_RNA)
where:
Base-Base interactions energy: -127.158
where: short stacking energy: -84.215
Base-Backbone interact. energy: -1.695
local terms energy: -112.100128
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -17.685
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: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -201.399827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.399827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.399827 (E_RNA)
where:
Base-Base interactions energy: -87.537
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.317
local terms energy: -113.546088
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -6.194
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: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -165.893694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.893694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.893694 (E_RNA)
where:
Base-Base interactions energy: -64.333
where: short stacking energy: -44.128
Base-Backbone interact. energy: -0.620
local terms energy: -100.940155
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: 1.042
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: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -145.737426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.737426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.737426 (E_RNA)
where:
Base-Base interactions energy: -52.596
where: short stacking energy: -41.598
Base-Backbone interact. energy: 1.265
local terms energy: -94.406762
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -19.134
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: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -456.088433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.088433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.088433 (E_RNA)
where:
Base-Base interactions energy: -291.932
where: short stacking energy: -135.073
Base-Backbone interact. energy: -0.620
local terms energy: -163.536225
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -41.788
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: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -391.137419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.137419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.137419 (E_RNA)
where:
Base-Base interactions energy: -230.225
where: short stacking energy: -128.061
Base-Backbone interact. energy: -1.595
local terms energy: -159.317644
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -40.756
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -343.948095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.948095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.948095 (E_RNA)
where:
Base-Base interactions energy: -214.235
where: short stacking energy: -105.903
Base-Backbone interact. energy: 1.524
local terms energy: -131.236636
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -33.880
flat angles C4'-P-C4' energy: -34.207
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -449.672453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.672453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.672453 (E_RNA)
where:
Base-Base interactions energy: -298.042
where: short stacking energy: -140.380
Base-Backbone interact. energy: -1.243
local terms energy: -150.386833
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -32.679
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -40.721
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: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -223.509028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.509028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.509028 (E_RNA)
where:
Base-Base interactions energy: -93.149
where: short stacking energy: -64.490
Base-Backbone interact. energy: 0.063
local terms energy: -130.423115
where:
bonds (distance) C4'-P energy: -33.566
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -10.000
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: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -373.600894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.600894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.600894 (E_RNA)
where:
Base-Base interactions energy: -222.082
where: short stacking energy: -114.347
Base-Backbone interact. energy: -0.076
local terms energy: -151.442133
where:
bonds (distance) C4'-P energy: -37.628
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -28.498
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: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -211.307364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.307364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.307364 (E_RNA)
where:
Base-Base interactions energy: -104.102
where: short stacking energy: -68.459
Base-Backbone interact. energy: 2.150
local terms energy: -109.354951
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -35.917
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -6.669
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: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -184.947660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.947660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.947660 (E_RNA)
where:
Base-Base interactions energy: -80.402
where: short stacking energy: -52.619
Base-Backbone interact. energy: 1.417
local terms energy: -105.962720
where:
bonds (distance) C4'-P energy: -28.182
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -6.137
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: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -158.121026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.121026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.121026 (E_RNA)
where:
Base-Base interactions energy: -55.174
where: short stacking energy: -51.998
Base-Backbone interact. energy: -1.738
local terms energy: -101.209080
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -147.895657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.895657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.895657 (E_RNA)
where:
Base-Base interactions energy: -51.469
where: short stacking energy: -41.636
Base-Backbone interact. energy: 1.995
local terms energy: -98.421794
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -11.102
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: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -417.741557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.741557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.741557 (E_RNA)
where:
Base-Base interactions energy: -264.612
where: short stacking energy: -138.143
Base-Backbone interact. energy: -0.511
local terms energy: -152.619125
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -39.249
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: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -415.535433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.535433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.535433 (E_RNA)
where:
Base-Base interactions energy: -248.949
where: short stacking energy: -128.612
Base-Backbone interact. energy: -0.127
local terms energy: -166.458928
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -38.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -460.093664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.093664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.093664 (E_RNA)
where:
Base-Base interactions energy: -290.387
where: short stacking energy: -138.444
Base-Backbone interact. energy: -0.485
local terms energy: -169.221045
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -28.911
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -44.622
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: 10
Temperature: 1.050000
Total energy: -373.972441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.972441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.972441 (E_RNA)
where:
Base-Base interactions energy: -230.680
where: short stacking energy: -110.107
Base-Backbone interact. energy: -0.571
local terms energy: -142.721036
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -370.287888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.287888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.287888 (E_RNA)
where:
Base-Base interactions energy: -224.792
where: short stacking energy: -124.026
Base-Backbone interact. energy: -1.090
local terms energy: -144.405600
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -36.989
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: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -221.645440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.645440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.645440 (E_RNA)
where:
Base-Base interactions energy: -93.623
where: short stacking energy: -69.037
Base-Backbone interact. energy: 0.510
local terms energy: -128.532279
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -12.578
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: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -240.115609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.115609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.115609 (E_RNA)
where:
Base-Base interactions energy: -130.334
where: short stacking energy: -93.738
Base-Backbone interact. energy: 0.488
local terms energy: -110.270144
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -10.241
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: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -160.379827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.379827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.379827 (E_RNA)
where:
Base-Base interactions energy: -73.760
where: short stacking energy: -42.156
Base-Backbone interact. energy: -0.558
local terms energy: -86.061927
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: 1.998
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -179.531512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.531512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.531512 (E_RNA)
where:
Base-Base interactions energy: -80.611
where: short stacking energy: -60.375
Base-Backbone interact. energy: -0.990
local terms energy: -97.931042
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -143.868039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.868039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.868039 (E_RNA)
where:
Base-Base interactions energy: -62.692
where: short stacking energy: -45.317
Base-Backbone interact. energy: 1.253
local terms energy: -82.428980
where:
bonds (distance) C4'-P energy: -28.701
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -418.474068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.474068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.474068 (E_RNA)
where:
Base-Base interactions energy: -247.412
where: short stacking energy: -134.336
Base-Backbone interact. energy: -0.704
local terms energy: -170.358011
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -39.366
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -480.005796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.005796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.005796 (E_RNA)
where:
Base-Base interactions energy: -320.583
where: short stacking energy: -159.972
Base-Backbone interact. energy: 0.363
local terms energy: -159.786051
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -43.177
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: 3, replica: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -429.750304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.750304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.750304 (E_RNA)
where:
Base-Base interactions energy: -267.130
where: short stacking energy: -125.528
Base-Backbone interact. energy: -0.301
local terms energy: -162.320038
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -32.930
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -36.200
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: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -421.181510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.181510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.181510 (E_RNA)
where:
Base-Base interactions energy: -260.775
where: short stacking energy: -130.456
Base-Backbone interact. energy: -0.231
local terms energy: -160.175669
where:
bonds (distance) C4'-P energy: -35.655
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -39.612
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -308.668256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.668256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.668256 (E_RNA)
where:
Base-Base interactions energy: -176.788
where: short stacking energy: -78.420
Base-Backbone interact. energy: -0.070
local terms energy: -131.810439
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -14.251
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: 11
Temperature: 1.150000
Total energy: -241.056096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.056096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.056096 (E_RNA)
where:
Base-Base interactions energy: -120.119
where: short stacking energy: -75.934
Base-Backbone interact. energy: -0.349
local terms energy: -120.588000
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -10.871
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: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -216.581296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.581296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.581296 (E_RNA)
where:
Base-Base interactions energy: -93.589
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.526
local terms energy: -122.466159
where:
bonds (distance) C4'-P energy: -27.124
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -11.470
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: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -175.712620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.712620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.712620 (E_RNA)
where:
Base-Base interactions energy: -85.712
where: short stacking energy: -37.899
Base-Backbone interact. energy: -0.019
local terms energy: -89.981619
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: 8.932
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: 11
Temperature: 1.300000
Total energy: -150.313534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.313534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.313534 (E_RNA)
where:
Base-Base interactions energy: -59.491
where: short stacking energy: -54.475
Base-Backbone interact. energy: 0.027
local terms energy: -90.849671
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -1.269
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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -141.066284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.066284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.066284 (E_RNA)
where:
Base-Base interactions energy: -54.623
where: short stacking energy: -44.947
Base-Backbone interact. energy: 1.438
local terms energy: -87.881492
where:
bonds (distance) C4'-P energy: -28.704
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: 5.388
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: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -487.327106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.327106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.327106 (E_RNA)
where:
Base-Base interactions energy: -316.621
where: short stacking energy: -142.631
Base-Backbone interact. energy: -0.669
local terms energy: -170.037263
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -39.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -432.766251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.766251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.766251 (E_RNA)
where:
Base-Base interactions energy: -272.744
where: short stacking energy: -138.299
Base-Backbone interact. energy: -1.794
local terms energy: -158.227733
where:
bonds (distance) C4'-P energy: -32.810
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -37.127
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: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -428.134926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.134926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.134926 (E_RNA)
where:
Base-Base interactions energy: -274.043
where: short stacking energy: -131.276
Base-Backbone interact. energy: -0.690
local terms energy: -153.401182
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -37.657
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -399.676438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.676438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.676438 (E_RNA)
where:
Base-Base interactions energy: -257.191
where: short stacking energy: -129.305
Base-Backbone interact. energy: 0.869
local terms energy: -143.354475
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -36.589
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -28.089
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: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -280.702078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.702078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.702078 (E_RNA)
where:
Base-Base interactions energy: -150.434
where: short stacking energy: -96.186
Base-Backbone interact. energy: 0.449
local terms energy: -130.717421
where:
bonds (distance) C4'-P energy: -32.039
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -24.501
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: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -243.852106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.852106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.852106 (E_RNA)
where:
Base-Base interactions energy: -126.984
where: short stacking energy: -70.033
Base-Backbone interact. energy: 0.214
local terms energy: -117.082730
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -14.499
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: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -181.451756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.451756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.451756 (E_RNA)
where:
Base-Base interactions energy: -71.756
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.288
local terms energy: -109.408209
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -9.021
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: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -212.138649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138649 (E_RNA)
where:
Base-Base interactions energy: -111.261
where: short stacking energy: -72.679
Base-Backbone interact. energy: 0.697
local terms energy: -101.574289
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -10.884
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: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -163.329356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.329356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.329356 (E_RNA)
where:
Base-Base interactions energy: -47.712
where: short stacking energy: -38.446
Base-Backbone interact. energy: -0.206
local terms energy: -115.410920
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -3.282
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: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -148.791412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.791412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.791412 (E_RNA)
where:
Base-Base interactions energy: -52.890
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.355
local terms energy: -95.546322
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -3.333
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: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -488.623213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.623213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.623213 (E_RNA)
where:
Base-Base interactions energy: -322.009
where: short stacking energy: -144.484
Base-Backbone interact. energy: -0.714
local terms energy: -165.900063
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -45.594
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: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -444.937808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.937808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.937808 (E_RNA)
where:
Base-Base interactions energy: -284.449
where: short stacking energy: -134.797
Base-Backbone interact. energy: -0.200
local terms energy: -160.289025
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -43.954
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: 13
Temperature: 1.000000
Total energy: -396.924399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.924399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.924399 (E_RNA)
where:
Base-Base interactions energy: -242.082
where: short stacking energy: -122.475
Base-Backbone interact. energy: 1.146
local terms energy: -155.988351
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -35.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -392.287358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.287358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.287358 (E_RNA)
where:
Base-Base interactions energy: -242.960
where: short stacking energy: -120.335
Base-Backbone interact. energy: -0.264
local terms energy: -149.063420
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -27.658
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: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -293.130104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.130104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.130104 (E_RNA)
where:
Base-Base interactions energy: -152.934
where: short stacking energy: -87.522
Base-Backbone interact. energy: -0.359
local terms energy: -139.837453
where:
bonds (distance) C4'-P energy: -34.638
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -36.766
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -18.660
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -259.518634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.518634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.518634 (E_RNA)
where:
Base-Base interactions energy: -145.988
where: short stacking energy: -82.114
Base-Backbone interact. energy: -0.283
local terms energy: -113.248034
where:
bonds (distance) C4'-P energy: -31.525
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -195.340811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.340811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.340811 (E_RNA)
where:
Base-Base interactions energy: -85.978
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.576
local terms energy: -108.786774
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -180.031042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.031042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.031042 (E_RNA)
where:
Base-Base interactions energy: -74.734
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.456
local terms energy: -104.841035
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -2.605
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: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -154.868384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.868384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.868384 (E_RNA)
where:
Base-Base interactions energy: -52.324
where: short stacking energy: -38.687
Base-Backbone interact. energy: -1.152
local terms energy: -101.392024
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: 3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -157.217504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.217504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.217504 (E_RNA)
where:
Base-Base interactions energy: -68.737
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.374
local terms energy: -88.106838
where:
bonds (distance) C4'-P energy: -26.785
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -3.869
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: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -486.097962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.097962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.097962 (E_RNA)
where:
Base-Base interactions energy: -309.114
where: short stacking energy: -152.300
Base-Backbone interact. energy: -0.175
local terms energy: -176.808646
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -35.608
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -42.100
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: 14
Temperature: 0.950000
Total energy: -471.925388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.925388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.925388 (E_RNA)
where:
Base-Base interactions energy: -300.586
where: short stacking energy: -142.418
Base-Backbone interact. energy: -0.264
local terms energy: -171.075400
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -46.666
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: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -380.710465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.710465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.710465 (E_RNA)
where:
Base-Base interactions energy: -228.203
where: short stacking energy: -115.639
Base-Backbone interact. energy: -0.380
local terms energy: -152.127507
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -33.399
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: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -391.083700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.083700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.083700 (E_RNA)
where:
Base-Base interactions energy: -248.479
where: short stacking energy: -118.817
Base-Backbone interact. energy: 1.807
local terms energy: -144.411931
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -33.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -304.991062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.991062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.991062 (E_RNA)
where:
Base-Base interactions energy: -157.849
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.324
local terms energy: -146.818335
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -234.825334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.825334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.825334 (E_RNA)
where:
Base-Base interactions energy: -114.724
where: short stacking energy: -65.239
Base-Backbone interact. energy: -3.634
local terms energy: -116.467053
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -18.522
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: 7, replica: 1
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -185.046661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.046661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.046661 (E_RNA)
where:
Base-Base interactions energy: -69.272
where: short stacking energy: -61.815
Base-Backbone interact. energy: -2.108
local terms energy: -113.665716
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -5.417
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: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -162.527023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.527023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.527023 (E_RNA)
where:
Base-Base interactions energy: -65.218
where: short stacking energy: -65.218
Base-Backbone interact. energy: 0.455
local terms energy: -97.764098
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -208.527554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.527554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.527554 (E_RNA)
where:
Base-Base interactions energy: -110.263
where: short stacking energy: -59.619
Base-Backbone interact. energy: -0.568
local terms energy: -97.696280
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -2.835
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: 14
Temperature: 1.350000
Total energy: -143.482515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.482515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.482515 (E_RNA)
where:
Base-Base interactions energy: -52.980
where: short stacking energy: -50.153
Base-Backbone interact. energy: 0.582
local terms energy: -91.083794
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -471.557393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.557393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.557393 (E_RNA)
where:
Base-Base interactions energy: -289.868
where: short stacking energy: -148.778
Base-Backbone interact. energy: -1.231
local terms energy: -180.458135
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -27.933
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: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -473.319593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.319593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.319593 (E_RNA)
where:
Base-Base interactions energy: -312.139
where: short stacking energy: -133.785
Base-Backbone interact. energy: -0.541
local terms energy: -160.639726
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -32.557
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -35.782
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -375.051409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.051409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.051409 (E_RNA)
where:
Base-Base interactions energy: -240.843
where: short stacking energy: -115.154
Base-Backbone interact. energy: 0.661
local terms energy: -134.869279
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -25.340
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -405.061790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.061790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.061790 (E_RNA)
where:
Base-Base interactions energy: -248.334
where: short stacking energy: -123.613
Base-Backbone interact. energy: -0.250
local terms energy: -156.477645
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -34.451
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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -316.949470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.949470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.949470 (E_RNA)
where:
Base-Base interactions energy: -171.056
where: short stacking energy: -93.929
Base-Backbone interact. energy: -1.246
local terms energy: -144.646741
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -24.168
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: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -217.279781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.279781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.279781 (E_RNA)
where:
Base-Base interactions energy: -101.114
where: short stacking energy: -57.144
Base-Backbone interact. energy: 0.008
local terms energy: -116.173952
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -11.218
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: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -245.122152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.122152 (E_RNA)
where:
Base-Base interactions energy: -125.304
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.914
local terms energy: -118.904145
where:
bonds (distance) C4'-P energy: -36.029
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -9.321
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: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -232.396487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.396487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.396487 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.423
local terms energy: -114.697437
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -5.544
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: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -176.293583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.293583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.293583 (E_RNA)
where:
Base-Base interactions energy: -94.576
where: short stacking energy: -42.555
Base-Backbone interact. energy: -0.713
local terms energy: -81.005124
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -24.367
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: 1.377
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: 15
Temperature: 1.350000
Total energy: -162.199961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.199961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.199961 (E_RNA)
where:
Base-Base interactions energy: -71.915
where: short stacking energy: -48.158
Base-Backbone interact. energy: -1.126
local terms energy: -89.158955
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: 3.754
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: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -480.246937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.246937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.246937 (E_RNA)
where:
Base-Base interactions energy: -313.079
where: short stacking energy: -147.689
Base-Backbone interact. energy: -0.750
local terms energy: -166.417971
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -33.648
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -25.914
tors. eta vs tors. theta energy: -42.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -481.659854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.659854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.659854 (E_RNA)
where:
Base-Base interactions energy: -313.274
where: short stacking energy: -145.450
Base-Backbone interact. energy: 1.384
local terms energy: -169.770113
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -42.980
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: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -437.794974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.794974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.794974 (E_RNA)
where:
Base-Base interactions energy: -285.629
where: short stacking energy: -145.425
Base-Backbone interact. energy: -0.492
local terms energy: -151.673804
where:
bonds (distance) C4'-P energy: -29.512
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -37.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -385.266929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.266929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.266929 (E_RNA)
where:
Base-Base interactions energy: -236.716
where: short stacking energy: -131.436
Base-Backbone interact. energy: -0.412
local terms energy: -148.139009
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -33.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -304.155313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.155313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.155313 (E_RNA)
where:
Base-Base interactions energy: -161.506
where: short stacking energy: -91.440
Base-Backbone interact. energy: -1.337
local terms energy: -141.312619
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -25.628
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: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -224.565202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.565202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.565202 (E_RNA)
where:
Base-Base interactions energy: -107.637
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.763
local terms energy: -116.165510
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -10.796
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: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -237.597991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.597991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.597991 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.436
local terms energy: -113.719899
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -229.370739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.370739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.370739 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -75.224
Base-Backbone interact. energy: 2.051
local terms energy: -117.630629
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -162.802877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.802877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.802877 (E_RNA)
where:
Base-Base interactions energy: -63.875
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.744
local terms energy: -98.184645
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -5.204
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: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -240.314302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.314302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.314302 (E_RNA)
where:
Base-Base interactions energy: -144.882
where: short stacking energy: -67.967
Base-Backbone interact. energy: -0.398
local terms energy: -95.035020
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -27.409
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -478.555526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.555526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.555526 (E_RNA)
where:
Base-Base interactions energy: -313.900
where: short stacking energy: -161.941
Base-Backbone interact. energy: 0.225
local terms energy: -164.880859
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -37.074
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -42.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -446.847156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.847156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.847156 (E_RNA)
where:
Base-Base interactions energy: -288.544
where: short stacking energy: -132.378
Base-Backbone interact. energy: -0.849
local terms energy: -157.454312
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -38.096
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: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -464.079266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.079266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.079266 (E_RNA)
where:
Base-Base interactions energy: -305.102
where: short stacking energy: -134.731
Base-Backbone interact. energy: -0.177
local terms energy: -158.799754
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -41.140
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -375.846915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.846915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.846915 (E_RNA)
where:
Base-Base interactions energy: -224.845
where: short stacking energy: -132.432
Base-Backbone interact. energy: -0.205
local terms energy: -150.797095
where:
bonds (distance) C4'-P energy: -32.882
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -37.060
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: 17
Temperature: 1.100000
Total energy: -303.428473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.428473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.428473 (E_RNA)
where:
Base-Base interactions energy: -171.155
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.511
local terms energy: -131.762548
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -33.446
flat angles P-C4'-P energy: -15.676
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -252.395945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.395945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.395945 (E_RNA)
where:
Base-Base interactions energy: -144.421
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.173
local terms energy: -107.801884
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -9.476
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: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -223.398276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.398276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.398276 (E_RNA)
where:
Base-Base interactions energy: -110.638
where: short stacking energy: -73.818
Base-Backbone interact. energy: -1.082
local terms energy: -111.678801
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -181.713274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.713274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.713274 (E_RNA)
where:
Base-Base interactions energy: -78.292
where: short stacking energy: -32.150
Base-Backbone interact. energy: -0.332
local terms energy: -103.089558
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -32.053
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: 1.555
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: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -198.914814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.914814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.914814 (E_RNA)
where:
Base-Base interactions energy: -110.588
where: short stacking energy: -46.559
Base-Backbone interact. energy: -1.635
local terms energy: -86.691909
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -277.401643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.401643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.401643 (E_RNA)
where:
Base-Base interactions energy: -160.492
where: short stacking energy: -62.661
Base-Backbone interact. energy: 4.403
local terms energy: -121.312190
where:
bonds (distance) C4'-P energy: -28.801
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -9.460
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: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -488.310662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.310662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.310662 (E_RNA)
where:
Base-Base interactions energy: -323.891
where: short stacking energy: -150.621
Base-Backbone interact. energy: -0.443
local terms energy: -163.975723
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -36.453
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -43.288
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: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -454.129993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.129993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.129993 (E_RNA)
where:
Base-Base interactions energy: -293.381
where: short stacking energy: -139.009
Base-Backbone interact. energy: -0.311
local terms energy: -160.437897
where:
bonds (distance) C4'-P energy: -32.461
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -39.807
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -392.672405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.672405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.672405 (E_RNA)
where:
Base-Base interactions energy: -245.394
where: short stacking energy: -127.143
Base-Backbone interact. energy: -0.954
local terms energy: -146.324534
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -32.518
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: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -453.485600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.485600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.485600 (E_RNA)
where:
Base-Base interactions energy: -305.747
where: short stacking energy: -137.925
Base-Backbone interact. energy: -0.056
local terms energy: -147.682343
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -38.315
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: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -338.544178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.544178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.544178 (E_RNA)
where:
Base-Base interactions energy: -211.731
where: short stacking energy: -104.576
Base-Backbone interact. energy: 0.635
local terms energy: -127.448590
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -26.190
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: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -236.983927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.983927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.983927 (E_RNA)
where:
Base-Base interactions energy: -120.902
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.589
local terms energy: -115.492431
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -8.096
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: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -224.395648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.395648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.395648 (E_RNA)
where:
Base-Base interactions energy: -113.276
where: short stacking energy: -57.668
Base-Backbone interact. energy: 0.249
local terms energy: -111.368461
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -166.679815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.679815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.679815 (E_RNA)
where:
Base-Base interactions energy: -53.729
where: short stacking energy: -53.110
Base-Backbone interact. energy: -0.694
local terms energy: -112.256892
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -30.900
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -274.951933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.951933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.951933 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.193
local terms energy: -116.823057
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -168.685317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.685317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.685317 (E_RNA)
where:
Base-Base interactions energy: -65.244
where: short stacking energy: -49.758
Base-Backbone interact. energy: -0.478
local terms energy: -102.963379
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -484.168423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.168423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.168423 (E_RNA)
where:
Base-Base interactions energy: -315.987
where: short stacking energy: -153.417
Base-Backbone interact. energy: -0.164
local terms energy: -168.017641
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: -43.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -450.368106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.368106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.368106 (E_RNA)
where:
Base-Base interactions energy: -274.587
where: short stacking energy: -125.762
Base-Backbone interact. energy: -0.224
local terms energy: -175.556798
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -37.473
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -43.470
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: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -393.989906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.989906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.989906 (E_RNA)
where:
Base-Base interactions energy: -238.231
where: short stacking energy: -123.958
Base-Backbone interact. energy: -0.984
local terms energy: -154.775098
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -34.397
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: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -456.937008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.937008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.937008 (E_RNA)
where:
Base-Base interactions energy: -300.127
where: short stacking energy: -133.266
Base-Backbone interact. energy: -0.142
local terms energy: -156.667661
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -40.753
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -365.369747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.369747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.369747 (E_RNA)
where:
Base-Base interactions energy: -216.458
where: short stacking energy: -114.752
Base-Backbone interact. energy: -0.764
local terms energy: -148.147868
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -28.176
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -211.888676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.888676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888676 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -45.993
Base-Backbone interact. energy: -2.508
local terms energy: -88.344924
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -229.908271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.908271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.908271 (E_RNA)
where:
Base-Base interactions energy: -119.121
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.210
local terms energy: -110.577711
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -11.119
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -332.848877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.848877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.848877 (E_RNA)
where:
Base-Base interactions energy: -228.664
where: short stacking energy: -92.740
Base-Backbone interact. energy: -0.601
local terms energy: -103.584084
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -21.004
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: 19
Temperature: 1.300000
Total energy: -153.677665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.677665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.677665 (E_RNA)
where:
Base-Base interactions energy: -53.545
where: short stacking energy: -51.877
Base-Backbone interact. energy: -1.047
local terms energy: -99.085933
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -149.862796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.862796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.862796 (E_RNA)
where:
Base-Base interactions energy: -40.325
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.493
local terms energy: -109.044442
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: 2.752
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: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -471.334221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.334221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.334221 (E_RNA)
where:
Base-Base interactions energy: -305.923
where: short stacking energy: -144.451
Base-Backbone interact. energy: -0.585
local terms energy: -164.825980
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -43.146
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: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -485.905781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.905781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.905781 (E_RNA)
where:
Base-Base interactions energy: -323.228
where: short stacking energy: -144.979
Base-Backbone interact. energy: 2.530
local terms energy: -165.207725
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -485.334148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.334148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.334148 (E_RNA)
where:
Base-Base interactions energy: -316.963
where: short stacking energy: -145.151
Base-Backbone interact. energy: 0.044
local terms energy: -168.414796
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -49.658
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: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -385.608741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.608741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.608741 (E_RNA)
where:
Base-Base interactions energy: -233.837
where: short stacking energy: -107.990
Base-Backbone interact. energy: -0.478
local terms energy: -151.293323
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -30.780
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: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -386.966382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.966382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.966382 (E_RNA)
where:
Base-Base interactions energy: -227.781
where: short stacking energy: -109.539
Base-Backbone interact. energy: -0.204
local terms energy: -158.981642
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -230.515064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.515064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.515064 (E_RNA)
where:
Base-Base interactions energy: -132.908
where: short stacking energy: -66.344
Base-Backbone interact. energy: 4.830
local terms energy: -102.437649
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -1.323
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: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -339.420686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.420686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.420686 (E_RNA)
where:
Base-Base interactions energy: -205.127
where: short stacking energy: -93.316
Base-Backbone interact. energy: -0.437
local terms energy: -133.856881
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -18.334
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: 20
Temperature: 1.250000
Total energy: -208.315140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.315140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.315140 (E_RNA)
where:
Base-Base interactions energy: -98.974
where: short stacking energy: -50.288
Base-Backbone interact. energy: -1.689
local terms energy: -107.652657
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -10.697
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: 20
Temperature: 1.300000
Total energy: -137.585969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.585969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.585969 (E_RNA)
where:
Base-Base interactions energy: -31.718
where: short stacking energy: -29.155
Base-Backbone interact. energy: 0.259
local terms energy: -106.127038
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -3.519
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: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -143.238442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.238442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.238442 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -33.050
Base-Backbone interact. energy: 0.503
local terms energy: -90.544978
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: 4.279
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: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -481.094856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.094856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.094856 (E_RNA)
where:
Base-Base interactions energy: -311.398
where: short stacking energy: -153.116
Base-Backbone interact. energy: -0.013
local terms energy: -169.683795
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -523.266508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.266508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.266508 (E_RNA)
where:
Base-Base interactions energy: -351.525
where: short stacking energy: -159.604
Base-Backbone interact. energy: -0.273
local terms energy: -171.468495
where:
bonds (distance) C4'-P energy: -35.925
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -46.863
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: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -486.637222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.637222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.637222 (E_RNA)
where:
Base-Base interactions energy: -324.249
where: short stacking energy: -141.183
Base-Backbone interact. energy: -0.147
local terms energy: -162.241325
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -47.084
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: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -390.242191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.242191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.242191 (E_RNA)
where:
Base-Base interactions energy: -241.993
where: short stacking energy: -110.530
Base-Backbone interact. energy: -0.272
local terms energy: -147.977596
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -28.690
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: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -359.930120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.930120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.930120 (E_RNA)
where:
Base-Base interactions energy: -220.600
where: short stacking energy: -115.968
Base-Backbone interact. energy: -0.581
local terms energy: -138.748250
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -31.687
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -339.705124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.705124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.705124 (E_RNA)
where:
Base-Base interactions energy: -199.352
where: short stacking energy: -96.985
Base-Backbone interact. energy: 0.234
local terms energy: -140.586551
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -224.207082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.207082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.207082 (E_RNA)
where:
Base-Base interactions energy: -122.333
where: short stacking energy: -60.068
Base-Backbone interact. energy: 0.071
local terms energy: -101.944400
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -9.039
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: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -216.422921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.422921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.422921 (E_RNA)
where:
Base-Base interactions energy: -106.580
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.535
local terms energy: -109.307657
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -160.528644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.528644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.528644 (E_RNA)
where:
Base-Base interactions energy: -54.275
where: short stacking energy: -53.807
Base-Backbone interact. energy: -0.762
local terms energy: -105.491632
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -9.268
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: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -135.646956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.646956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.646956 (E_RNA)
where:
Base-Base interactions energy: -41.929
where: short stacking energy: -41.265
Base-Backbone interact. energy: -0.535
local terms energy: -93.182643
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -3.731
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: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -519.226743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.226743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.226743 (E_RNA)
where:
Base-Base interactions energy: -344.468
where: short stacking energy: -151.283
Base-Backbone interact. energy: -0.712
local terms energy: -174.047513
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -38.310
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -47.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -465.206343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.206343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.206343 (E_RNA)
where:
Base-Base interactions energy: -305.870
where: short stacking energy: -142.242
Base-Backbone interact. energy: -0.121
local terms energy: -159.215399
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -39.937
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: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -473.870629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.870629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.870629 (E_RNA)
where:
Base-Base interactions energy: -303.600
where: short stacking energy: -147.973
Base-Backbone interact. energy: -0.216
local terms energy: -170.054467
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -47.463
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: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -385.743197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.743197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.743197 (E_RNA)
where:
Base-Base interactions energy: -238.244
where: short stacking energy: -125.197
Base-Backbone interact. energy: -2.341
local terms energy: -145.158083
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -31.801
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: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -352.992971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.992971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.992971 (E_RNA)
where:
Base-Base interactions energy: -221.819
where: short stacking energy: -115.414
Base-Backbone interact. energy: -0.736
local terms energy: -130.438677
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -22.876
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: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -370.216247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.216247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.216247 (E_RNA)
where:
Base-Base interactions energy: -239.999
where: short stacking energy: -98.867
Base-Backbone interact. energy: -1.238
local terms energy: -128.978934
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -24.279
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: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -239.308065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.308065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.308065 (E_RNA)
where:
Base-Base interactions energy: -124.506
where: short stacking energy: -67.040
Base-Backbone interact. energy: -1.465
local terms energy: -113.336133
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -34.218
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -12.023
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: 22
Temperature: 1.250000
Total energy: -206.996921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.996921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.996921 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -56.264
Base-Backbone interact. energy: -1.255
local terms energy: -90.953835
where:
bonds (distance) C4'-P energy: -24.661
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -5.995
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: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -155.542970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.542970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.542970 (E_RNA)
where:
Base-Base interactions energy: -52.520
where: short stacking energy: -40.928
Base-Backbone interact. energy: 3.133
local terms energy: -106.156749
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -2.860
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: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -155.269276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.269276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.269276 (E_RNA)
where:
Base-Base interactions energy: -61.234
where: short stacking energy: -56.133
Base-Backbone interact. energy: -0.193
local terms energy: -93.842054
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -524.295649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.295649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.295649 (E_RNA)
where:
Base-Base interactions energy: -361.878
where: short stacking energy: -153.091
Base-Backbone interact. energy: -0.346
local terms energy: -162.071493
where:
bonds (distance) C4'-P energy: -27.437
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -46.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -477.994256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.994256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.994256 (E_RNA)
where:
Base-Base interactions energy: -301.468
where: short stacking energy: -156.631
Base-Backbone interact. energy: -0.564
local terms energy: -175.961693
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -38.075
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -43.393
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: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -465.984171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.984171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.984171 (E_RNA)
where:
Base-Base interactions energy: -310.558
where: short stacking energy: -133.667
Base-Backbone interact. energy: -0.354
local terms energy: -155.072688
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -43.104
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: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -400.354494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.354494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.354494 (E_RNA)
where:
Base-Base interactions energy: -247.965
where: short stacking energy: -133.917
Base-Backbone interact. energy: -0.254
local terms energy: -152.135583
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -31.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -370.643339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.643339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.643339 (E_RNA)
where:
Base-Base interactions energy: -227.120
where: short stacking energy: -109.806
Base-Backbone interact. energy: -1.397
local terms energy: -142.126359
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -30.263
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -20.607
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -390.441948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.441948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.441948 (E_RNA)
where:
Base-Base interactions energy: -248.925
where: short stacking energy: -116.609
Base-Backbone interact. energy: -0.355
local terms energy: -141.162162
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -38.636
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -25.238
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -199.671618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.671618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.671618 (E_RNA)
where:
Base-Base interactions energy: -89.541
where: short stacking energy: -60.605
Base-Backbone interact. energy: 0.684
local terms energy: -110.815208
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -200.903478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.903478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.903478 (E_RNA)
where:
Base-Base interactions energy: -89.937
where: short stacking energy: -48.752
Base-Backbone interact. energy: -0.416
local terms energy: -110.550774
where:
bonds (distance) C4'-P energy: -28.091
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -10.711
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: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -157.544416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.544416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.544416 (E_RNA)
where:
Base-Base interactions energy: -57.278
where: short stacking energy: -49.676
Base-Backbone interact. energy: -0.739
local terms energy: -99.526735
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -28.110
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -144.961024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.961024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.961024 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -32.853
Base-Backbone interact. energy: -1.255
local terms energy: -100.348458
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -32.153
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -2.780
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: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -527.863457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.863457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.863457 (E_RNA)
where:
Base-Base interactions energy: -356.012
where: short stacking energy: -143.881
Base-Backbone interact. energy: 0.067
local terms energy: -171.918027
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -47.865
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -476.335861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.335861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.335861 (E_RNA)
where:
Base-Base interactions energy: -312.227
where: short stacking energy: -150.217
Base-Backbone interact. energy: -0.098
local terms energy: -164.010730
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -45.120
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: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -484.604854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.604854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.604854 (E_RNA)
where:
Base-Base interactions energy: -307.469
where: short stacking energy: -126.521
Base-Backbone interact. energy: -0.434
local terms energy: -176.702532
where:
bonds (distance) C4'-P energy: -36.567
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -39.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -407.907745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.907745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.907745 (E_RNA)
where:
Base-Base interactions energy: -253.730
where: short stacking energy: -132.624
Base-Backbone interact. energy: -1.508
local terms energy: -152.669452
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -40.570
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: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -425.569526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.569526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.569526 (E_RNA)
where:
Base-Base interactions energy: -285.294
where: short stacking energy: -125.714
Base-Backbone interact. energy: -0.607
local terms energy: -139.668534
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -32.413
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -33.331
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: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -421.038879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.038879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.038879 (E_RNA)
where:
Base-Base interactions energy: -275.318
where: short stacking energy: -118.428
Base-Backbone interact. energy: 0.276
local terms energy: -145.997372
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -36.710
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -232.585749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.585749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.585749 (E_RNA)
where:
Base-Base interactions energy: -119.497
where: short stacking energy: -66.924
Base-Backbone interact. energy: 0.996
local terms energy: -114.084866
where:
bonds (distance) C4'-P energy: -34.542
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -154.948594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.948594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.948594 (E_RNA)
where:
Base-Base interactions energy: -58.789
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.240
local terms energy: -95.919421
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -3.014
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: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -177.835105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.835105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.835105 (E_RNA)
where:
Base-Base interactions energy: -80.009
where: short stacking energy: -52.096
Base-Backbone interact. energy: -1.079
local terms energy: -96.746762
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -5.836
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: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -140.371293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.371293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.371293 (E_RNA)
where:
Base-Base interactions energy: -52.287
where: short stacking energy: -47.680
Base-Backbone interact. energy: -0.320
local terms energy: -87.764159
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: 0.553
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: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -531.027783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.027783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.027783 (E_RNA)
where:
Base-Base interactions energy: -359.769
where: short stacking energy: -155.292
Base-Backbone interact. energy: -0.690
local terms energy: -170.568386
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -47.097
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: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -488.395437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.395437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.395437 (E_RNA)
where:
Base-Base interactions energy: -326.226
where: short stacking energy: -148.121
Base-Backbone interact. energy: -0.197
local terms energy: -161.971907
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -41.026
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: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -473.898243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.898243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.898243 (E_RNA)
where:
Base-Base interactions energy: -308.488
where: short stacking energy: -141.823
Base-Backbone interact. energy: -0.235
local terms energy: -165.175188
where:
bonds (distance) C4'-P energy: -30.350
bonds (distance) P-C4' energy: -32.181
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -45.040
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: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -388.914916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.914916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.914916 (E_RNA)
where:
Base-Base interactions energy: -254.166
where: short stacking energy: -124.955
Base-Backbone interact. energy: -1.014
local terms energy: -133.734623
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -34.495
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: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -450.579091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.579091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.579091 (E_RNA)
where:
Base-Base interactions energy: -300.044
where: short stacking energy: -141.488
Base-Backbone interact. energy: -0.163
local terms energy: -150.372064
where:
bonds (distance) C4'-P energy: -31.525
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -42.659
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: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -404.788969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.788969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.788969 (E_RNA)
where:
Base-Base interactions energy: -264.889
where: short stacking energy: -118.575
Base-Backbone interact. energy: -0.984
local terms energy: -138.916040
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -35.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -228.476855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.476855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.476855 (E_RNA)
where:
Base-Base interactions energy: -119.808
where: short stacking energy: -70.001
Base-Backbone interact. energy: 2.048
local terms energy: -110.716602
where:
bonds (distance) C4'-P energy: -29.816
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -12.322
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: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -168.093040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.093040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.093040 (E_RNA)
where:
Base-Base interactions energy: -88.149
where: short stacking energy: -42.947
Base-Backbone interact. energy: -0.149
local terms energy: -79.794786
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: 4.405
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: 25
Temperature: 1.300000
Total energy: -144.427690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.427690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.427690 (E_RNA)
where:
Base-Base interactions energy: -44.694
where: short stacking energy: -31.706
Base-Backbone interact. energy: 0.424
local terms energy: -100.157384
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -150.410127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.410127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.410127 (E_RNA)
where:
Base-Base interactions energy: -62.701
where: short stacking energy: -36.552
Base-Backbone interact. energy: 1.227
local terms energy: -88.936275
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: 7.580
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: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -527.656088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.656088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.656088 (E_RNA)
where:
Base-Base interactions energy: -352.451
where: short stacking energy: -148.219
Base-Backbone interact. energy: -1.329
local terms energy: -173.876677
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -34.306
flat angles C4'-P-C4' energy: -34.626
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -45.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -487.431776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.431776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.431776 (E_RNA)
where:
Base-Base interactions energy: -316.994
where: short stacking energy: -148.804
Base-Backbone interact. energy: -0.503
local terms energy: -169.934851
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -49.529
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: 26
Temperature: 1.000000
Total energy: -479.145116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.145116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.145116 (E_RNA)
where:
Base-Base interactions energy: -311.073
where: short stacking energy: -137.293
Base-Backbone interact. energy: -0.243
local terms energy: -167.828911
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -33.785
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -44.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -397.906146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.906146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.906146 (E_RNA)
where:
Base-Base interactions energy: -252.027
where: short stacking energy: -123.448
Base-Backbone interact. energy: -0.631
local terms energy: -145.247921
where:
bonds (distance) C4'-P energy: -33.392
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -30.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -405.646466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.646466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.646466 (E_RNA)
where:
Base-Base interactions energy: -254.220
where: short stacking energy: -115.663
Base-Backbone interact. energy: -1.244
local terms energy: -150.181800
where:
bonds (distance) C4'-P energy: -27.498
bonds (distance) P-C4' energy: -38.229
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -29.846
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: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -438.139464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.139464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.139464 (E_RNA)
where:
Base-Base interactions energy: -290.501
where: short stacking energy: -130.633
Base-Backbone interact. energy: -0.374
local terms energy: -147.263824
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -28.787
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -35.006
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -223.125655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.125655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.125655 (E_RNA)
where:
Base-Base interactions energy: -113.010
where: short stacking energy: -51.955
Base-Backbone interact. energy: 0.229
local terms energy: -110.344287
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -8.678
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: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -159.959191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.959191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.959191 (E_RNA)
where:
Base-Base interactions energy: -60.151
where: short stacking energy: -47.954
Base-Backbone interact. energy: 1.121
local terms energy: -100.928436
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -6.519
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: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -147.713487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.713487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.713487 (E_RNA)
where:
Base-Base interactions energy: -61.293
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.901
local terms energy: -85.519445
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -0.359
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: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -155.589596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.589596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.589596 (E_RNA)
where:
Base-Base interactions energy: -61.617
where: short stacking energy: -44.228
Base-Backbone interact. energy: 0.583
local terms energy: -94.555596
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -524.135996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.135996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.135996 (E_RNA)
where:
Base-Base interactions energy: -355.675
where: short stacking energy: -149.922
Base-Backbone interact. energy: -0.512
local terms energy: -167.949287
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -44.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -487.685225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.685225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.685225 (E_RNA)
where:
Base-Base interactions energy: -319.262
where: short stacking energy: -141.256
Base-Backbone interact. energy: 0.214
local terms energy: -168.637323
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -47.395
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: 27
Temperature: 1.000000
Total energy: -487.804908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.804908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.804908 (E_RNA)
where:
Base-Base interactions energy: -327.610
where: short stacking energy: -145.941
Base-Backbone interact. energy: -0.774
local terms energy: -159.421562
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -42.097
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -427.085296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.085296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.085296 (E_RNA)
where:
Base-Base interactions energy: -276.545
where: short stacking energy: -135.332
Base-Backbone interact. energy: -0.367
local terms energy: -150.173140
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -19.392
tors. eta vs tors. theta energy: -40.156
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: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -428.379809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.379809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.379809 (E_RNA)
where:
Base-Base interactions energy: -273.793
where: short stacking energy: -121.019
Base-Backbone interact. energy: -0.801
local terms energy: -153.786081
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -38.540
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: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -479.385581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.385581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.385581 (E_RNA)
where:
Base-Base interactions energy: -325.874
where: short stacking energy: -129.060
Base-Backbone interact. energy: -0.311
local terms energy: -153.200360
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -39.793
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -242.615939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.615939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.615939 (E_RNA)
where:
Base-Base interactions energy: -128.308
where: short stacking energy: -68.510
Base-Backbone interact. energy: -0.315
local terms energy: -113.992772
where:
bonds (distance) C4'-P energy: -35.386
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -170.706587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.706587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.706587 (E_RNA)
where:
Base-Base interactions energy: -66.995
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.455
local terms energy: -103.255833
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -8.969
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: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -145.326343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.326343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.326343 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -37.351
Base-Backbone interact. energy: -1.506
local terms energy: -104.866684
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -154.883681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.883681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.883681 (E_RNA)
where:
Base-Base interactions energy: -53.544
where: short stacking energy: -50.181
Base-Backbone interact. energy: 1.061
local terms energy: -102.401250
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: 0.287
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: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -504.726377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.726377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.726377 (E_RNA)
where:
Base-Base interactions energy: -339.033
where: short stacking energy: -156.786
Base-Backbone interact. energy: -0.113
local terms energy: -165.581167
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -49.848
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: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -518.299986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.299986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.299986 (E_RNA)
where:
Base-Base interactions energy: -360.031
where: short stacking energy: -153.992
Base-Backbone interact. energy: -0.184
local terms energy: -158.085060
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -48.060
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -492.897035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.897035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.897035 (E_RNA)
where:
Base-Base interactions energy: -331.490
where: short stacking energy: -149.502
Base-Backbone interact. energy: 1.438
local terms energy: -162.844377
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -47.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -419.800781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.800781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.800781 (E_RNA)
where:
Base-Base interactions energy: -270.161
where: short stacking energy: -139.380
Base-Backbone interact. energy: -0.101
local terms energy: -149.539128
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -38.338
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: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -516.465871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.465871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.465871 (E_RNA)
where:
Base-Base interactions energy: -367.896
where: short stacking energy: -140.471
Base-Backbone interact. energy: -0.134
local terms energy: -148.435775
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -35.315
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: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -410.732348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.732348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.732348 (E_RNA)
where:
Base-Base interactions energy: -262.327
where: short stacking energy: -123.071
Base-Backbone interact. energy: -0.511
local terms energy: -147.894797
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -36.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -183.362769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.362769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.362769 (E_RNA)
where:
Base-Base interactions energy: -88.372
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.301
local terms energy: -94.689488
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -3.153
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -205.627103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.627103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.627103 (E_RNA)
where:
Base-Base interactions energy: -88.344
where: short stacking energy: -55.377
Base-Backbone interact. energy: -0.683
local terms energy: -116.599735
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -155.165130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.165130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.165130 (E_RNA)
where:
Base-Base interactions energy: -50.362
where: short stacking energy: -47.562
Base-Backbone interact. energy: -0.488
local terms energy: -104.315091
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -7.533
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -149.644319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.644319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.644319 (E_RNA)
where:
Base-Base interactions energy: -60.231
where: short stacking energy: -50.813
Base-Backbone interact. energy: -0.441
local terms energy: -88.972749
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -1.515
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: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -515.361028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.361028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.361028 (E_RNA)
where:
Base-Base interactions energy: -352.757
where: short stacking energy: -139.815
Base-Backbone interact. energy: -1.020
local terms energy: -161.584085
where:
bonds (distance) C4'-P energy: -33.550
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -39.519
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: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -490.790891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.790891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.790891 (E_RNA)
where:
Base-Base interactions energy: -329.713
where: short stacking energy: -147.388
Base-Backbone interact. energy: -0.246
local terms energy: -160.832258
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -40.553
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: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -509.170617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.170617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.170617 (E_RNA)
where:
Base-Base interactions energy: -348.247
where: short stacking energy: -150.133
Base-Backbone interact. energy: -0.678
local terms energy: -160.244893
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -35.381
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -44.386
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: 29
Temperature: 1.050000
Total energy: -506.732077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.732077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.732077 (E_RNA)
where:
Base-Base interactions energy: -360.348
where: short stacking energy: -139.759
Base-Backbone interact. energy: -0.977
local terms energy: -145.407356
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -38.434
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: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -424.303351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.303351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.303351 (E_RNA)
where:
Base-Base interactions energy: -274.844
where: short stacking energy: -125.964
Base-Backbone interact. energy: -0.313
local terms energy: -149.146675
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -420.645241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.645241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.645241 (E_RNA)
where:
Base-Base interactions energy: -257.147
where: short stacking energy: -122.672
Base-Backbone interact. energy: -1.347
local terms energy: -162.151378
where:
bonds (distance) C4'-P energy: -34.098
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -41.435
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: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -178.225618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.225618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.225618 (E_RNA)
where:
Base-Base interactions energy: -64.351
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.072
local terms energy: -113.803174
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -32.970
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -13.168
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: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -190.631085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.631085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.631085 (E_RNA)
where:
Base-Base interactions energy: -73.803
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.114
local terms energy: -116.713907
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -16.590
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: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -224.826271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.826271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.826271 (E_RNA)
where:
Base-Base interactions energy: -101.360
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.351
local terms energy: -123.115946
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -155.699794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.699794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.699794 (E_RNA)
where:
Base-Base interactions energy: -62.282
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.543
local terms energy: -92.874802
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -513.820067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.820067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.820067 (E_RNA)
where:
Base-Base interactions energy: -344.465
where: short stacking energy: -154.046
Base-Backbone interact. energy: 0.022
local terms energy: -169.377496
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -42.298
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: 30
Temperature: 0.950000
Total energy: -503.795528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.795528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.795528 (E_RNA)
where:
Base-Base interactions energy: -332.451
where: short stacking energy: -153.700
Base-Backbone interact. energy: -0.759
local terms energy: -170.585576
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -49.069
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: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -529.644004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.644004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.644004 (E_RNA)
where:
Base-Base interactions energy: -358.387
where: short stacking energy: -152.079
Base-Backbone interact. energy: -0.165
local terms energy: -171.091444
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -44.237
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: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -484.961906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.961906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.961906 (E_RNA)
where:
Base-Base interactions energy: -326.351
where: short stacking energy: -131.554
Base-Backbone interact. energy: -0.771
local terms energy: -157.839945
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -36.659
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -38.311
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: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -421.735700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.735700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.735700 (E_RNA)
where:
Base-Base interactions energy: -268.710
where: short stacking energy: -117.314
Base-Backbone interact. energy: -0.548
local terms energy: -152.477902
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -38.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -395.875105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.875105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.875105 (E_RNA)
where:
Base-Base interactions energy: -257.718
where: short stacking energy: -121.146
Base-Backbone interact. energy: -0.137
local terms energy: -138.020149
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -31.036
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: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -197.743435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.743435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743435 (E_RNA)
where:
Base-Base interactions energy: -80.268
where: short stacking energy: -73.434
Base-Backbone interact. energy: -0.096
local terms energy: -117.378863
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -178.608571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.608571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.608571 (E_RNA)
where:
Base-Base interactions energy: -57.822
where: short stacking energy: -50.975
Base-Backbone interact. energy: -0.216
local terms energy: -120.570529
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -10.717
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: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -196.072335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.072335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.072335 (E_RNA)
where:
Base-Base interactions energy: -97.091
where: short stacking energy: -48.679
Base-Backbone interact. energy: -0.444
local terms energy: -98.537304
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -6.268
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: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -166.600534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.600534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.600534 (E_RNA)
where:
Base-Base interactions energy: -79.956
where: short stacking energy: -39.234
Base-Backbone interact. energy: 3.634
local terms energy: -90.278160
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: 5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -514.881070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.881070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.881070 (E_RNA)
where:
Base-Base interactions energy: -345.022
where: short stacking energy: -158.069
Base-Backbone interact. energy: 0.908
local terms energy: -170.766861
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -37.472
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -48.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -537.192663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.192663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.192663 (E_RNA)
where:
Base-Base interactions energy: -360.066
where: short stacking energy: -159.273
Base-Backbone interact. energy: -1.344
local terms energy: -175.782826
where:
bonds (distance) C4'-P energy: -30.350
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -49.799
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: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -480.133522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.133522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.133522 (E_RNA)
where:
Base-Base interactions energy: -312.724
where: short stacking energy: -148.015
Base-Backbone interact. energy: -0.091
local terms energy: -167.318167
where:
bonds (distance) C4'-P energy: -30.566
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -39.907
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: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -433.780277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.780277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.780277 (E_RNA)
where:
Base-Base interactions energy: -281.401
where: short stacking energy: -136.681
Base-Backbone interact. energy: -0.417
local terms energy: -151.962533
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -34.108
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -32.737
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: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -482.227906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.227906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.227906 (E_RNA)
where:
Base-Base interactions energy: -331.181
where: short stacking energy: -140.681
Base-Backbone interact. energy: 1.631
local terms energy: -152.678031
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -38.349
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: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -460.250952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.250952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.250952 (E_RNA)
where:
Base-Base interactions energy: -313.341
where: short stacking energy: -127.051
Base-Backbone interact. energy: -0.255
local terms energy: -146.655013
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -38.531
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: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -182.762138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.762138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.762138 (E_RNA)
where:
Base-Base interactions energy: -96.293
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.427
local terms energy: -86.042836
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -200.790506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.790506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.790506 (E_RNA)
where:
Base-Base interactions energy: -112.984
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.333
local terms energy: -87.474093
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -156.337482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.337482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.337482 (E_RNA)
where:
Base-Base interactions energy: -59.388
where: short stacking energy: -44.948
Base-Backbone interact. energy: -0.228
local terms energy: -96.720946
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: 6.500
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: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -154.199642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.199642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.199642 (E_RNA)
where:
Base-Base interactions energy: -64.428
where: short stacking energy: -38.972
Base-Backbone interact. energy: 0.042
local terms energy: -89.813670
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -17.672
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -552.349013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.349013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.349013 (E_RNA)
where:
Base-Base interactions energy: -379.925
where: short stacking energy: -168.153
Base-Backbone interact. energy: -0.641
local terms energy: -171.782601
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -49.154
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: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -510.723966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.723966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.723966 (E_RNA)
where:
Base-Base interactions energy: -345.811
where: short stacking energy: -163.455
Base-Backbone interact. energy: -0.233
local terms energy: -164.680735
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -26.415
tors. eta vs tors. theta energy: -44.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -482.135619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.135619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.135619 (E_RNA)
where:
Base-Base interactions energy: -316.015
where: short stacking energy: -139.884
Base-Backbone interact. energy: -0.033
local terms energy: -166.087045
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -427.618471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.618471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.618471 (E_RNA)
where:
Base-Base interactions energy: -270.257
where: short stacking energy: -124.265
Base-Backbone interact. energy: 1.241
local terms energy: -158.602637
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -34.086
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -38.690
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: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -476.710829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.710829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.710829 (E_RNA)
where:
Base-Base interactions energy: -325.948
where: short stacking energy: -137.467
Base-Backbone interact. energy: -0.564
local terms energy: -150.199014
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -28.336
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -37.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -462.456872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.456872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.456872 (E_RNA)
where:
Base-Base interactions energy: -317.714
where: short stacking energy: -118.537
Base-Backbone interact. energy: -1.293
local terms energy: -143.449213
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -31.020
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: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -225.001952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.001952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.001952 (E_RNA)
where:
Base-Base interactions energy: -113.619
where: short stacking energy: -68.047
Base-Backbone interact. energy: -0.388
local terms energy: -110.995625
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -8.806
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -169.313147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.313147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.313147 (E_RNA)
where:
Base-Base interactions energy: -57.150
where: short stacking energy: -57.150
Base-Backbone interact. energy: 0.375
local terms energy: -112.538165
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -32.770
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -17.069
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -147.950448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.950448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.950448 (E_RNA)
where:
Base-Base interactions energy: -48.586
where: short stacking energy: -46.435
Base-Backbone interact. energy: 4.211
local terms energy: -103.575868
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -168.753568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.753568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.753568 (E_RNA)
where:
Base-Base interactions energy: -64.934
where: short stacking energy: -55.895
Base-Backbone interact. energy: 1.979
local terms energy: -105.799311
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -6.048
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: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -553.720469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.720469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.720469 (E_RNA)
where:
Base-Base interactions energy: -382.282
where: short stacking energy: -152.097
Base-Backbone interact. energy: -0.210
local terms energy: -171.229286
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -49.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -511.863584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.863584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.863584 (E_RNA)
where:
Base-Base interactions energy: -348.788
where: short stacking energy: -149.870
Base-Backbone interact. energy: -0.212
local terms energy: -162.863862
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -42.339
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -487.547072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.547072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.547072 (E_RNA)
where:
Base-Base interactions energy: -315.522
where: short stacking energy: -147.956
Base-Backbone interact. energy: 1.359
local terms energy: -173.383720
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -44.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -509.387289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.387289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.387289 (E_RNA)
where:
Base-Base interactions energy: -350.205
where: short stacking energy: -141.996
Base-Backbone interact. energy: -0.305
local terms energy: -158.877502
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -41.206
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: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -436.674835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.674835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.674835 (E_RNA)
where:
Base-Base interactions energy: -291.397
where: short stacking energy: -134.828
Base-Backbone interact. energy: 1.154
local terms energy: -146.431825
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -34.200
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -492.100511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.100511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.100511 (E_RNA)
where:
Base-Base interactions energy: -344.620
where: short stacking energy: -142.341
Base-Backbone interact. energy: -0.185
local terms energy: -147.295787
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -40.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -251.332279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.332279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.332279 (E_RNA)
where:
Base-Base interactions energy: -135.574
where: short stacking energy: -69.509
Base-Backbone interact. energy: -0.347
local terms energy: -115.411118
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -33.645
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -9.180
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -165.582032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.582032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.582032 (E_RNA)
where:
Base-Base interactions energy: -64.585
where: short stacking energy: -43.529
Base-Backbone interact. energy: -1.680
local terms energy: -99.317473
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -5.145
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: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -170.087714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.087714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.087714 (E_RNA)
where:
Base-Base interactions energy: -71.202
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.682
local terms energy: -98.203747
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -137.529957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.529957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.529957 (E_RNA)
where:
Base-Base interactions energy: -49.479
where: short stacking energy: -49.479
Base-Backbone interact. energy: 0.495
local terms energy: -88.545808
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -1.281
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: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -545.429081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.429081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.429081 (E_RNA)
where:
Base-Base interactions energy: -383.293
where: short stacking energy: -156.290
Base-Backbone interact. energy: -0.479
local terms energy: -161.657533
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -42.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -492.142623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.142623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.142623 (E_RNA)
where:
Base-Base interactions energy: -334.666
where: short stacking energy: -147.391
Base-Backbone interact. energy: -0.324
local terms energy: -157.151984
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -41.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -526.957052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.957052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.957052 (E_RNA)
where:
Base-Base interactions energy: -365.128
where: short stacking energy: -159.333
Base-Backbone interact. energy: -0.253
local terms energy: -161.576123
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -33.904
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -46.447
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -480.635197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.635197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.635197 (E_RNA)
where:
Base-Base interactions energy: -314.699
where: short stacking energy: -143.667
Base-Backbone interact. energy: -0.290
local terms energy: -165.646158
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -31.633
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -49.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -500.758524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.758524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.758524 (E_RNA)
where:
Base-Base interactions energy: -339.862
where: short stacking energy: -138.533
Base-Backbone interact. energy: -0.110
local terms energy: -160.786780
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -46.226
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -422.973098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.973098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.973098 (E_RNA)
where:
Base-Base interactions energy: -265.578
where: short stacking energy: -125.356
Base-Backbone interact. energy: -0.400
local terms energy: -156.994854
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -35.717
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -34.734
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -186.687066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.687066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.687066 (E_RNA)
where:
Base-Base interactions energy: -73.457
where: short stacking energy: -67.826
Base-Backbone interact. energy: 0.670
local terms energy: -113.900524
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -7.384
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: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -214.760305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.760305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.760305 (E_RNA)
where:
Base-Base interactions energy: -95.872
where: short stacking energy: -49.783
Base-Backbone interact. energy: 1.229
local terms energy: -120.116974
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -154.625638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.625638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.625638 (E_RNA)
where:
Base-Base interactions energy: -59.474
where: short stacking energy: -49.301
Base-Backbone interact. energy: -0.691
local terms energy: -94.460365
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -146.343420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.343420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.343420 (E_RNA)
where:
Base-Base interactions energy: -50.976
where: short stacking energy: -42.059
Base-Backbone interact. energy: 0.700
local terms energy: -96.067294
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: 5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -563.012148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.012148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.012148 (E_RNA)
where:
Base-Base interactions energy: -372.745
where: short stacking energy: -160.651
Base-Backbone interact. energy: -0.709
local terms energy: -189.558315
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -37.731
flat angles C4'-P-C4' energy: -38.631
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -499.484901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.484901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.484901 (E_RNA)
where:
Base-Base interactions energy: -333.041
where: short stacking energy: -139.774
Base-Backbone interact. energy: -0.228
local terms energy: -166.215109
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -40.191
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: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -516.694485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.694485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.694485 (E_RNA)
where:
Base-Base interactions energy: -353.830
where: short stacking energy: -141.979
Base-Backbone interact. energy: -0.421
local terms energy: -162.443146
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -40.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -508.522461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.522461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.522461 (E_RNA)
where:
Base-Base interactions energy: -344.579
where: short stacking energy: -154.618
Base-Backbone interact. energy: 0.214
local terms energy: -164.158150
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -447.361247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.361247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.361247 (E_RNA)
where:
Base-Base interactions energy: -301.933
where: short stacking energy: -134.208
Base-Backbone interact. energy: -0.285
local terms energy: -145.143522
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -33.563
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -41.970
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: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -422.253012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.253012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.253012 (E_RNA)
where:
Base-Base interactions energy: -267.532
where: short stacking energy: -128.562
Base-Backbone interact. energy: -0.169
local terms energy: -154.552551
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -36.541
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: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -174.604549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.604549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.604549 (E_RNA)
where:
Base-Base interactions energy: -76.138
where: short stacking energy: -44.086
Base-Backbone interact. energy: -0.469
local terms energy: -97.996929
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -208.639360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.639360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.639360 (E_RNA)
where:
Base-Base interactions energy: -110.347
where: short stacking energy: -71.569
Base-Backbone interact. energy: -0.438
local terms energy: -97.853471
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -148.031621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.031621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.031621 (E_RNA)
where:
Base-Base interactions energy: -52.534
where: short stacking energy: -48.761
Base-Backbone interact. energy: -0.316
local terms energy: -95.181508
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -0.422
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: 35
Temperature: 1.350000
Total energy: -155.372085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.372085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.372085 (E_RNA)
where:
Base-Base interactions energy: -49.276
where: short stacking energy: -41.598
Base-Backbone interact. energy: -1.333
local terms energy: -104.763630
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -2.624
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: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -559.714662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.714662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.714662 (E_RNA)
where:
Base-Base interactions energy: -379.557
where: short stacking energy: -158.522
Base-Backbone interact. energy: 0.276
local terms energy: -180.433716
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: -47.331
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: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -502.219486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.219486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.219486 (E_RNA)
where:
Base-Base interactions energy: -337.386
where: short stacking energy: -142.885
Base-Backbone interact. energy: 1.704
local terms energy: -166.537997
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -32.937
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -41.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -523.695152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.695152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.695152 (E_RNA)
where:
Base-Base interactions energy: -365.708
where: short stacking energy: -152.651
Base-Backbone interact. energy: -0.075
local terms energy: -157.912581
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -36.691
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -37.548
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: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -503.497319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.497319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.497319 (E_RNA)
where:
Base-Base interactions energy: -343.902
where: short stacking energy: -153.036
Base-Backbone interact. energy: 1.355
local terms energy: -160.950458
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -44.834
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -437.867783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.867783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.867783 (E_RNA)
where:
Base-Base interactions energy: -282.258
where: short stacking energy: -133.383
Base-Backbone interact. energy: -0.673
local terms energy: -154.937120
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -35.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -422.510366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.510366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.510366 (E_RNA)
where:
Base-Base interactions energy: -272.824
where: short stacking energy: -124.121
Base-Backbone interact. energy: -0.335
local terms energy: -149.351124
where:
bonds (distance) C4'-P energy: -32.606
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -33.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -234.091093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.091093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.091093 (E_RNA)
where:
Base-Base interactions energy: -110.205
where: short stacking energy: -74.440
Base-Backbone interact. energy: -0.474
local terms energy: -123.411869
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -159.511969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.511969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.511969 (E_RNA)
where:
Base-Base interactions energy: -64.718
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.407
local terms energy: -94.387170
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: 1.739
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: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -157.314387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.314387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.314387 (E_RNA)
where:
Base-Base interactions energy: -54.132
where: short stacking energy: -44.833
Base-Backbone interact. energy: -0.359
local terms energy: -102.822464
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -31.723
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -1.464
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: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -156.232510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.232510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.232510 (E_RNA)
where:
Base-Base interactions energy: -64.135
where: short stacking energy: -64.135
Base-Backbone interact. energy: -0.228
local terms energy: -91.869204
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -11.626
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: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -536.300807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.300807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.300807 (E_RNA)
where:
Base-Base interactions energy: -363.015
where: short stacking energy: -143.458
Base-Backbone interact. energy: 1.098
local terms energy: -174.384715
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -42.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -533.957220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.957220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.957220 (E_RNA)
where:
Base-Base interactions energy: -368.793
where: short stacking energy: -152.062
Base-Backbone interact. energy: -0.196
local terms energy: -164.967709
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -34.667
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -43.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -492.133475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.133475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.133475 (E_RNA)
where:
Base-Base interactions energy: -336.562
where: short stacking energy: -142.041
Base-Backbone interact. energy: -0.579
local terms energy: -154.993201
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -524.177119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.177119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.177119 (E_RNA)
where:
Base-Base interactions energy: -344.037
where: short stacking energy: -153.569
Base-Backbone interact. energy: -0.106
local terms energy: -180.034455
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -51.929
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -456.052248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.052248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.052248 (E_RNA)
where:
Base-Base interactions energy: -291.874
where: short stacking energy: -134.622
Base-Backbone interact. energy: -0.145
local terms energy: -164.033784
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -38.459
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -42.658
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: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -408.071053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.071053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.071053 (E_RNA)
where:
Base-Base interactions energy: -259.372
where: short stacking energy: -114.152
Base-Backbone interact. energy: -0.687
local terms energy: -148.011740
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -31.275
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -31.680
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: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -235.242921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.242921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.242921 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.197
local terms energy: -96.495554
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.438
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: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -153.556188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.556188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.556188 (E_RNA)
where:
Base-Base interactions energy: -66.397
where: short stacking energy: -54.640
Base-Backbone interact. energy: -0.677
local terms energy: -86.482212
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -165.494235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.494235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.494235 (E_RNA)
where:
Base-Base interactions energy: -64.657
where: short stacking energy: -52.764
Base-Backbone interact. energy: -0.426
local terms energy: -100.411645
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -18.081
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: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -153.002717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.002717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.002717 (E_RNA)
where:
Base-Base interactions energy: -71.956
where: short stacking energy: -37.205
Base-Backbone interact. energy: -0.769
local terms energy: -80.277199
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: 3.239
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: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -554.211318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.211318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.211318 (E_RNA)
where:
Base-Base interactions energy: -375.315
where: short stacking energy: -152.143
Base-Backbone interact. energy: 0.166
local terms energy: -179.061953
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -39.026
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -46.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -532.108395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.108395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.108395 (E_RNA)
where:
Base-Base interactions energy: -355.727
where: short stacking energy: -158.963
Base-Backbone interact. energy: -1.229
local terms energy: -175.152789
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -47.983
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -530.014215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.014215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.014215 (E_RNA)
where:
Base-Base interactions energy: -355.847
where: short stacking energy: -148.653
Base-Backbone interact. energy: -0.380
local terms energy: -173.786935
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -37.730
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -50.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -476.756568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.756568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.756568 (E_RNA)
where:
Base-Base interactions energy: -322.537
where: short stacking energy: -142.500
Base-Backbone interact. energy: 3.967
local terms energy: -158.185759
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -37.693
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: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -389.775965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.775965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.775965 (E_RNA)
where:
Base-Base interactions energy: -245.069
where: short stacking energy: -108.813
Base-Backbone interact. energy: 1.673
local terms energy: -146.380037
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -33.651
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: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -416.827401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.827401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.827401 (E_RNA)
where:
Base-Base interactions energy: -269.865
where: short stacking energy: -129.024
Base-Backbone interact. energy: -0.226
local terms energy: -146.736883
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -20.553
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: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -270.883558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.883558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.883558 (E_RNA)
where:
Base-Base interactions energy: -166.102
where: short stacking energy: -67.612
Base-Backbone interact. energy: 0.298
local terms energy: -105.080521
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -11.242
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: 38
Temperature: 1.250000
Total energy: -183.235874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.235874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.235874 (E_RNA)
where:
Base-Base interactions energy: -68.715
where: short stacking energy: -50.975
Base-Backbone interact. energy: -0.925
local terms energy: -113.595619
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -31.673
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -2.084
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: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -147.501404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.501404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.501404 (E_RNA)
where:
Base-Base interactions energy: -53.481
where: short stacking energy: -39.070
Base-Backbone interact. energy: 1.668
local terms energy: -95.688494
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -2.177
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -140.790043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.790043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.790043 (E_RNA)
where:
Base-Base interactions energy: -52.097
where: short stacking energy: -34.975
Base-Backbone interact. energy: -0.153
local terms energy: -88.540385
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: 4.310
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: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -552.725060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.725060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.725060 (E_RNA)
where:
Base-Base interactions energy: -388.657
where: short stacking energy: -163.822
Base-Backbone interact. energy: -1.264
local terms energy: -162.804031
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -541.872568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.872568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.872568 (E_RNA)
where:
Base-Base interactions energy: -355.852
where: short stacking energy: -162.153
Base-Backbone interact. energy: -0.265
local terms energy: -185.755475
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -34.765
flat angles P-C4'-P energy: -28.239
tors. eta vs tors. theta energy: -53.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -512.056090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.056090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.056090 (E_RNA)
where:
Base-Base interactions energy: -341.682
where: short stacking energy: -151.127
Base-Backbone interact. energy: -0.138
local terms energy: -170.235385
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -38.137
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -43.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -457.271879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.271879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.271879 (E_RNA)
where:
Base-Base interactions energy: -310.277
where: short stacking energy: -134.082
Base-Backbone interact. energy: -0.593
local terms energy: -146.401261
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -42.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -416.236619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.236619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.236619 (E_RNA)
where:
Base-Base interactions energy: -252.507
where: short stacking energy: -119.716
Base-Backbone interact. energy: 0.111
local terms energy: -163.841266
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -38.068
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: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -412.405396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.405396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.405396 (E_RNA)
where:
Base-Base interactions energy: -265.354
where: short stacking energy: -125.634
Base-Backbone interact. energy: -0.424
local terms energy: -146.627664
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -25.178
tors. eta vs tors. theta energy: -33.490
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: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -277.019516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.019516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.019516 (E_RNA)
where:
Base-Base interactions energy: -166.134
where: short stacking energy: -70.636
Base-Backbone interact. energy: -0.969
local terms energy: -109.916596
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -11.050
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: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -165.288028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.288028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.288028 (E_RNA)
where:
Base-Base interactions energy: -52.476
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.183
local terms energy: -112.629893
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -12.464
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: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -164.486801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.486801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.486801 (E_RNA)
where:
Base-Base interactions energy: -73.415
where: short stacking energy: -53.171
Base-Backbone interact. energy: 0.970
local terms energy: -92.042265
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -164.259205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.259205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.259205 (E_RNA)
where:
Base-Base interactions energy: -51.374
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.652
local terms energy: -112.232960
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -31.033
flat angles C4'-P-C4' energy: -37.148
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: 3.290
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: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -542.649307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.649307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.649307 (E_RNA)
where:
Base-Base interactions energy: -371.118
where: short stacking energy: -147.189
Base-Backbone interact. energy: -0.284
local terms energy: -171.247544
where:
bonds (distance) C4'-P energy: -36.311
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -42.615
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: 40
Temperature: 0.950000
Total energy: -541.841196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.841196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.841196 (E_RNA)
where:
Base-Base interactions energy: -365.044
where: short stacking energy: -160.305
Base-Backbone interact. energy: 0.014
local terms energy: -176.810683
where:
bonds (distance) C4'-P energy: -35.333
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -51.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -518.601306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.601306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.601306 (E_RNA)
where:
Base-Base interactions energy: -343.413
where: short stacking energy: -159.434
Base-Backbone interact. energy: -0.033
local terms energy: -175.155601
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -451.293610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.293610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.293610 (E_RNA)
where:
Base-Base interactions energy: -301.444
where: short stacking energy: -128.617
Base-Backbone interact. energy: 0.233
local terms energy: -150.082342
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -36.465
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: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -409.677801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.677801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.677801 (E_RNA)
where:
Base-Base interactions energy: -256.018
where: short stacking energy: -128.072
Base-Backbone interact. energy: -0.320
local terms energy: -153.340054
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -30.706
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -38.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -401.833794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.833794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.833794 (E_RNA)
where:
Base-Base interactions energy: -258.264
where: short stacking energy: -111.800
Base-Backbone interact. energy: -0.596
local terms energy: -142.974082
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -27.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -267.734409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.734409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.734409 (E_RNA)
where:
Base-Base interactions energy: -165.106
where: short stacking energy: -82.169
Base-Backbone interact. energy: -0.702
local terms energy: -101.925766
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -12.946
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: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -160.682174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.682174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.682174 (E_RNA)
where:
Base-Base interactions energy: -60.624
where: short stacking energy: -49.780
Base-Backbone interact. energy: -0.697
local terms energy: -99.360505
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -5.755
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: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -154.993715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.993715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.993715 (E_RNA)
where:
Base-Base interactions energy: -52.660
where: short stacking energy: -48.835
Base-Backbone interact. energy: -1.017
local terms energy: -101.317219
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -3.899
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: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -152.841561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.841561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.841561 (E_RNA)
where:
Base-Base interactions energy: -62.113
where: short stacking energy: -58.804
Base-Backbone interact. energy: 0.860
local terms energy: -91.588138
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -9.109
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: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -557.270103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.270103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.270103 (E_RNA)
where:
Base-Base interactions energy: -381.982
where: short stacking energy: -163.644
Base-Backbone interact. energy: -0.230
local terms energy: -175.058541
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -37.349
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -46.189
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: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -514.414594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.414594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.414594 (E_RNA)
where:
Base-Base interactions energy: -362.641
where: short stacking energy: -145.441
Base-Backbone interact. energy: -0.671
local terms energy: -151.103488
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -34.567
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: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -528.605223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.605223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.605223 (E_RNA)
where:
Base-Base interactions energy: -361.175
where: short stacking energy: -164.943
Base-Backbone interact. energy: 0.378
local terms energy: -167.808050
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -47.844
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: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -438.035932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.035932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.035932 (E_RNA)
where:
Base-Base interactions energy: -284.957
where: short stacking energy: -127.095
Base-Backbone interact. energy: -1.394
local terms energy: -151.685584
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -449.931613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.931613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.931613 (E_RNA)
where:
Base-Base interactions energy: -302.207
where: short stacking energy: -127.163
Base-Backbone interact. energy: -0.167
local terms energy: -147.556885
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -411.646680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.646680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.646680 (E_RNA)
where:
Base-Base interactions energy: -268.620
where: short stacking energy: -119.850
Base-Backbone interact. energy: -0.520
local terms energy: -142.506678
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -36.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -326.794689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.794689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.794689 (E_RNA)
where:
Base-Base interactions energy: -205.065
where: short stacking energy: -82.745
Base-Backbone interact. energy: -0.885
local terms energy: -120.844615
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -12.710
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: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -163.139245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.139245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.139245 (E_RNA)
where:
Base-Base interactions energy: -66.296
where: short stacking energy: -34.901
Base-Backbone interact. energy: 1.992
local terms energy: -98.834820
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: 5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -158.206455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.206455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.206455 (E_RNA)
where:
Base-Base interactions energy: -57.758
where: short stacking energy: -56.734
Base-Backbone interact. energy: -0.192
local terms energy: -100.256082
where:
bonds (distance) C4'-P energy: -31.851
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -142.503259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.503259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.503259 (E_RNA)
where:
Base-Base interactions energy: -43.371
where: short stacking energy: -36.891
Base-Backbone interact. energy: -1.097
local terms energy: -98.034834
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -2.572
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: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -561.321803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.321803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.321803 (E_RNA)
where:
Base-Base interactions energy: -379.404
where: short stacking energy: -158.215
Base-Backbone interact. energy: -0.820
local terms energy: -181.098183
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -47.434
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: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -524.700366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.700366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.700366 (E_RNA)
where:
Base-Base interactions energy: -354.051
where: short stacking energy: -153.858
Base-Backbone interact. energy: -0.129
local terms energy: -170.520501
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -47.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -521.031960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.031960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.031960 (E_RNA)
where:
Base-Base interactions energy: -353.282
where: short stacking energy: -150.499
Base-Backbone interact. energy: 0.445
local terms energy: -168.194575
where:
bonds (distance) C4'-P energy: -35.415
bonds (distance) P-C4' energy: -29.792
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -47.258
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: 42
Temperature: 1.050000
Total energy: -416.091462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.091462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.091462 (E_RNA)
where:
Base-Base interactions energy: -278.013
where: short stacking energy: -133.204
Base-Backbone interact. energy: -0.228
local terms energy: -137.850607
where:
bonds (distance) C4'-P energy: -31.102
bonds (distance) P-C4' energy: -29.433
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -36.737
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: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -453.528706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.528706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.528706 (E_RNA)
where:
Base-Base interactions energy: -301.716
where: short stacking energy: -142.992
Base-Backbone interact. energy: -0.230
local terms energy: -151.582065
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -36.992
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -46.414
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: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -399.247411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.247411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.247411 (E_RNA)
where:
Base-Base interactions energy: -265.427
where: short stacking energy: -105.229
Base-Backbone interact. energy: 0.275
local terms energy: -134.095784
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -30.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -338.471499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.471499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.471499 (E_RNA)
where:
Base-Base interactions energy: -211.694
where: short stacking energy: -94.623
Base-Backbone interact. energy: -2.064
local terms energy: -124.713475
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -170.231486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.231486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.231486 (E_RNA)
where:
Base-Base interactions energy: -65.656
where: short stacking energy: -43.181
Base-Backbone interact. energy: -0.526
local terms energy: -104.048698
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: 7.199
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: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -161.646070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.646070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.646070 (E_RNA)
where:
Base-Base interactions energy: -56.692
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.499
local terms energy: -104.454707
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -3.743
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: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -150.001046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.001046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.001046 (E_RNA)
where:
Base-Base interactions energy: -51.054
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.354
local terms energy: -98.592907
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -1.846
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: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -549.988828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.988828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.988828 (E_RNA)
where:
Base-Base interactions energy: -377.403
where: short stacking energy: -156.609
Base-Backbone interact. energy: -0.141
local terms energy: -172.444240
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -38.117
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -45.999
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -535.002073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.002073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.002073 (E_RNA)
where:
Base-Base interactions energy: -366.331
where: short stacking energy: -164.602
Base-Backbone interact. energy: -1.101
local terms energy: -167.570138
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -51.470
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: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -514.535295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.535295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.535295 (E_RNA)
where:
Base-Base interactions energy: -342.297
where: short stacking energy: -148.592
Base-Backbone interact. energy: -0.326
local terms energy: -171.912167
where:
bonds (distance) C4'-P energy: -34.810
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -43.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -453.718758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.718758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.718758 (E_RNA)
where:
Base-Base interactions energy: -296.401
where: short stacking energy: -118.901
Base-Backbone interact. energy: -0.878
local terms energy: -156.439375
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -35.709
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -38.824
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: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -414.635807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.635807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.635807 (E_RNA)
where:
Base-Base interactions energy: -279.286
where: short stacking energy: -128.299
Base-Backbone interact. energy: -0.289
local terms energy: -135.061459
where:
bonds (distance) C4'-P energy: -24.779
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -370.301217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.301217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.301217 (E_RNA)
where:
Base-Base interactions energy: -254.719
where: short stacking energy: -94.130
Base-Backbone interact. energy: 1.798
local terms energy: -117.381007
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -29.278
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -26.405
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -356.382047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.382047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.382047 (E_RNA)
where:
Base-Base interactions energy: -228.582
where: short stacking energy: -100.660
Base-Backbone interact. energy: 1.734
local terms energy: -129.534038
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -157.498622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.498622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.498622 (E_RNA)
where:
Base-Base interactions energy: -63.067
where: short stacking energy: -54.073
Base-Backbone interact. energy: 1.626
local terms energy: -96.057240
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -149.825725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.825725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.825725 (E_RNA)
where:
Base-Base interactions energy: -54.101
where: short stacking energy: -49.760
Base-Backbone interact. energy: -0.792
local terms energy: -94.932481
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -151.895715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.895715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.895715 (E_RNA)
where:
Base-Base interactions energy: -65.010
where: short stacking energy: -47.524
Base-Backbone interact. energy: -0.709
local terms energy: -86.175993
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -554.133243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.133243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.133243 (E_RNA)
where:
Base-Base interactions energy: -381.711
where: short stacking energy: -153.148
Base-Backbone interact. energy: -0.146
local terms energy: -172.277073
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -43.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -532.507658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.507658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.507658 (E_RNA)
where:
Base-Base interactions energy: -358.031
where: short stacking energy: -161.751
Base-Backbone interact. energy: -0.184
local terms energy: -174.293196
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -38.810
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -50.698
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: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -504.770288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.770288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.770288 (E_RNA)
where:
Base-Base interactions energy: -345.770
where: short stacking energy: -161.553
Base-Backbone interact. energy: -0.200
local terms energy: -158.800269
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -45.982
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: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -468.176120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.176120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.176120 (E_RNA)
where:
Base-Base interactions energy: -313.704
where: short stacking energy: -143.094
Base-Backbone interact. energy: -0.172
local terms energy: -154.299439
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -36.895
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -40.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -431.501246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.501246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.501246 (E_RNA)
where:
Base-Base interactions energy: -282.661
where: short stacking energy: -143.556
Base-Backbone interact. energy: -0.215
local terms energy: -148.625367
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -33.234
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -40.355
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: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -363.552485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.552485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.552485 (E_RNA)
where:
Base-Base interactions energy: -230.089
where: short stacking energy: -124.908
Base-Backbone interact. energy: 0.071
local terms energy: -133.534949
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -37.620
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: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -382.760253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.760253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.760253 (E_RNA)
where:
Base-Base interactions energy: -259.169
where: short stacking energy: -103.153
Base-Backbone interact. energy: -0.110
local terms energy: -123.481135
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -27.206
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: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -182.213287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.213287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.213287 (E_RNA)
where:
Base-Base interactions energy: -69.281
where: short stacking energy: -66.622
Base-Backbone interact. energy: -1.763
local terms energy: -111.169712
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -8.015
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: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -185.791385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.791385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.791385 (E_RNA)
where:
Base-Base interactions energy: -79.260
where: short stacking energy: -51.738
Base-Backbone interact. energy: -0.259
local terms energy: -106.273025
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: 1.737
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: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -145.315513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.315513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.315513 (E_RNA)
where:
Base-Base interactions energy: -49.849
where: short stacking energy: -36.781
Base-Backbone interact. energy: -1.319
local terms energy: -94.147079
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -34.198
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: 10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -542.284015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.284015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.284015 (E_RNA)
where:
Base-Base interactions energy: -389.364
where: short stacking energy: -156.185
Base-Backbone interact. energy: 1.076
local terms energy: -153.996817
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -40.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -541.480626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.480626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.480626 (E_RNA)
where:
Base-Base interactions energy: -367.880
where: short stacking energy: -154.066
Base-Backbone interact. energy: -1.206
local terms energy: -172.394516
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -518.834016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.834016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.834016 (E_RNA)
where:
Base-Base interactions energy: -349.165
where: short stacking energy: -150.352
Base-Backbone interact. energy: -0.605
local terms energy: -169.064550
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -47.170
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: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -487.156271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.156271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.156271 (E_RNA)
where:
Base-Base interactions energy: -322.488
where: short stacking energy: -154.223
Base-Backbone interact. energy: -0.321
local terms energy: -164.346417
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -50.205
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: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -408.877483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.877483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.877483 (E_RNA)
where:
Base-Base interactions energy: -260.380
where: short stacking energy: -118.226
Base-Backbone interact. energy: 1.521
local terms energy: -150.018101
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -32.901
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: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -416.527722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.527722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.527722 (E_RNA)
where:
Base-Base interactions energy: -287.644
where: short stacking energy: -120.976
Base-Backbone interact. energy: -0.312
local terms energy: -128.572518
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -32.080
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: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -366.711479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.711479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.711479 (E_RNA)
where:
Base-Base interactions energy: -236.745
where: short stacking energy: -116.357
Base-Backbone interact. energy: -0.765
local terms energy: -129.201648
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -27.885
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -162.607671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.607671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.607671 (E_RNA)
where:
Base-Base interactions energy: -62.529
where: short stacking energy: -39.794
Base-Backbone interact. energy: -0.257
local terms energy: -99.822099
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: 4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -138.780575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.780575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.780575 (E_RNA)
where:
Base-Base interactions energy: -36.219
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.654
local terms energy: -101.907671
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -13.895
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: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -141.217470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.217470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.217470 (E_RNA)
where:
Base-Base interactions energy: -53.308
where: short stacking energy: -31.368
Base-Backbone interact. energy: -1.604
local terms energy: -86.304766
where:
bonds (distance) C4'-P energy: -29.644
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: 3.297
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: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -556.602673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.602673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.602673 (E_RNA)
where:
Base-Base interactions energy: -388.582
where: short stacking energy: -148.083
Base-Backbone interact. energy: 0.487
local terms energy: -168.507763
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -46.970
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: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -548.803449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.803449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.803449 (E_RNA)
where:
Base-Base interactions energy: -375.046
where: short stacking energy: -163.142
Base-Backbone interact. energy: -0.605
local terms energy: -173.152794
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -50.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -519.152303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.152303 (E_RNA)
where:
Base-Base interactions energy: -358.508
where: short stacking energy: -145.171
Base-Backbone interact. energy: -0.323
local terms energy: -160.321398
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: -44.314
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: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -491.824544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.824544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.824544 (E_RNA)
where:
Base-Base interactions energy: -324.917
where: short stacking energy: -138.679
Base-Backbone interact. energy: -0.195
local terms energy: -166.712400
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -36.299
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -48.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -424.445415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.445415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.445415 (E_RNA)
where:
Base-Base interactions energy: -274.272
where: short stacking energy: -117.593
Base-Backbone interact. energy: -1.263
local terms energy: -148.910199
where:
bonds (distance) C4'-P energy: -33.310
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -18.913
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: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -407.315343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.315343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.315343 (E_RNA)
where:
Base-Base interactions energy: -268.630
where: short stacking energy: -107.705
Base-Backbone interact. energy: -0.816
local terms energy: -137.869600
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -24.538
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: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -372.996687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.996687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.996687 (E_RNA)
where:
Base-Base interactions energy: -222.283
where: short stacking energy: -120.125
Base-Backbone interact. energy: 0.020
local terms energy: -150.733863
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -39.182
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: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -165.428621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.428621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.428621 (E_RNA)
where:
Base-Base interactions energy: -58.129
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.684
local terms energy: -106.615980
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -5.031
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: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -148.514406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.514406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.514406 (E_RNA)
where:
Base-Base interactions energy: -58.273
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.659
local terms energy: -89.582793
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -3.125
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: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -149.811665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.811665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.811665 (E_RNA)
where:
Base-Base interactions energy: -56.567
where: short stacking energy: -49.068
Base-Backbone interact. energy: -0.680
local terms energy: -92.564548
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -3.790
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: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -563.074986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.074986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.074986 (E_RNA)
where:
Base-Base interactions energy: -389.575
where: short stacking energy: -155.270
Base-Backbone interact. energy: 0.185
local terms energy: -173.685155
where:
bonds (distance) C4'-P energy: -33.791
bonds (distance) P-C4' energy: -38.765
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -23.042
tors. eta vs tors. theta energy: -45.637
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: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -520.306138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.306138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.306138 (E_RNA)
where:
Base-Base interactions energy: -347.940
where: short stacking energy: -155.146
Base-Backbone interact. energy: -0.385
local terms energy: -171.981450
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -47.398
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: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -526.212055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.212055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.212055 (E_RNA)
where:
Base-Base interactions energy: -359.891
where: short stacking energy: -147.158
Base-Backbone interact. energy: -0.800
local terms energy: -165.521354
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -47.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -497.625972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.625972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.625972 (E_RNA)
where:
Base-Base interactions energy: -328.270
where: short stacking energy: -162.111
Base-Backbone interact. energy: -0.282
local terms energy: -169.073777
where:
bonds (distance) C4'-P energy: -31.093
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -49.998
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: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -424.240292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.240292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.240292 (E_RNA)
where:
Base-Base interactions energy: -277.189
where: short stacking energy: -129.982
Base-Backbone interact. energy: -0.516
local terms energy: -146.535359
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -37.927
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: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -396.837833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.837833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.837833 (E_RNA)
where:
Base-Base interactions energy: -258.744
where: short stacking energy: -119.717
Base-Backbone interact. energy: -0.956
local terms energy: -137.138060
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -30.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -388.827174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.827174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.827174 (E_RNA)
where:
Base-Base interactions energy: -251.594
where: short stacking energy: -106.482
Base-Backbone interact. energy: -0.477
local terms energy: -136.756712
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -26.275
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: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -153.621105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.621105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.621105 (E_RNA)
where:
Base-Base interactions energy: -53.818
where: short stacking energy: -54.031
Base-Backbone interact. energy: 1.319
local terms energy: -101.121838
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: 1.590
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: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -175.101109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.101109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.101109 (E_RNA)
where:
Base-Base interactions energy: -67.797
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.329
local terms energy: -106.975128
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -1.087
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: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -142.680420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.680420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.680420 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -18.263
Base-Backbone interact. energy: -1.205
local terms energy: -97.705465
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: 9.203
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: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -550.626744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.626744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.626744 (E_RNA)
where:
Base-Base interactions energy: -375.880
where: short stacking energy: -155.994
Base-Backbone interact. energy: -0.149
local terms energy: -174.597448
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -47.086
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: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -532.843662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.843662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.843662 (E_RNA)
where:
Base-Base interactions energy: -359.055
where: short stacking energy: -161.858
Base-Backbone interact. energy: -0.098
local terms energy: -173.690680
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -47.905
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: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -514.925342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.925342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.925342 (E_RNA)
where:
Base-Base interactions energy: -352.498
where: short stacking energy: -143.257
Base-Backbone interact. energy: -0.227
local terms energy: -162.200187
where:
bonds (distance) C4'-P energy: -31.604
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -39.332
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: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -489.287452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.287452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.287452 (E_RNA)
where:
Base-Base interactions energy: -314.385
where: short stacking energy: -149.517
Base-Backbone interact. energy: -0.670
local terms energy: -174.232212
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -32.577
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -53.723
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -420.317506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.317506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.317506 (E_RNA)
where:
Base-Base interactions energy: -269.962
where: short stacking energy: -113.783
Base-Backbone interact. energy: -0.219
local terms energy: -150.135936
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -29.929
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: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -410.771210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.771210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.771210 (E_RNA)
where:
Base-Base interactions energy: -269.302
where: short stacking energy: -133.352
Base-Backbone interact. energy: -0.131
local terms energy: -141.338515
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -34.704
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: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -378.717929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.717929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.717929 (E_RNA)
where:
Base-Base interactions energy: -230.656
where: short stacking energy: -106.549
Base-Backbone interact. energy: -0.739
local terms energy: -147.322404
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -35.018
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -152.279575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.279575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.279575 (E_RNA)
where:
Base-Base interactions energy: -53.957
where: short stacking energy: -37.435
Base-Backbone interact. energy: 3.458
local terms energy: -101.780510
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -25.908
flat angles P-C4'-P energy: -12.644
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -150.842680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.842680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.842680 (E_RNA)
where:
Base-Base interactions energy: -53.978
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.546
local terms energy: -96.318943
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -4.276
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: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -150.619042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.619042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.619042 (E_RNA)
where:
Base-Base interactions energy: -39.528
where: short stacking energy: -37.209
Base-Backbone interact. energy: 2.400
local terms energy: -113.490802
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -34.139
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -6.649
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: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -553.217760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.217760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.217760 (E_RNA)
where:
Base-Base interactions energy: -380.481
where: short stacking energy: -158.816
Base-Backbone interact. energy: -0.121
local terms energy: -172.615637
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -25.677
tors. eta vs tors. theta energy: -51.742
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: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -531.884511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.884511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.884511 (E_RNA)
where:
Base-Base interactions energy: -353.857
where: short stacking energy: -153.312
Base-Backbone interact. energy: -0.411
local terms energy: -177.616838
where:
bonds (distance) C4'-P energy: -33.318
bonds (distance) P-C4' energy: -32.580
flat angles C4'-P-C4' energy: -39.441
flat angles P-C4'-P energy: -25.739
tors. eta vs tors. theta energy: -46.539
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: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -522.493406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.493406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.493406 (E_RNA)
where:
Base-Base interactions energy: -354.078
where: short stacking energy: -151.248
Base-Backbone interact. energy: -0.257
local terms energy: -168.158628
where:
bonds (distance) C4'-P energy: -34.356
bonds (distance) P-C4' energy: -35.327
flat angles C4'-P-C4' energy: -35.123
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -46.165
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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -483.303594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.303594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.303594 (E_RNA)
where:
Base-Base interactions energy: -307.552
where: short stacking energy: -145.956
Base-Backbone interact. energy: -0.658
local terms energy: -175.094118
where:
bonds (distance) C4'-P energy: -28.889
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -50.678
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -430.059877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.059877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.059877 (E_RNA)
where:
Base-Base interactions energy: -271.460
where: short stacking energy: -119.427
Base-Backbone interact. energy: -0.531
local terms energy: -158.068385
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -37.432
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -429.318806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.318806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.318806 (E_RNA)
where:
Base-Base interactions energy: -279.467
where: short stacking energy: -135.597
Base-Backbone interact. energy: -0.654
local terms energy: -149.197335
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -40.239
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: 49
Temperature: 1.200000
Total energy: -403.370313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.370313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.370313 (E_RNA)
where:
Base-Base interactions energy: -266.665
where: short stacking energy: -109.391
Base-Backbone interact. energy: 0.260
local terms energy: -136.966025
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -33.784
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -178.018521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.018521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.018521 (E_RNA)
where:
Base-Base interactions energy: -71.824
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.436
local terms energy: -105.758389
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -6.515
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: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -145.875958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.875958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.875958 (E_RNA)
where:
Base-Base interactions energy: -60.692
where: short stacking energy: -48.501
Base-Backbone interact. energy: -0.681
local terms energy: -84.503026
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -158.623642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.623642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.623642 (E_RNA)
where:
Base-Base interactions energy: -64.899
where: short stacking energy: -52.159
Base-Backbone interact. energy: 0.456
local terms energy: -94.180108
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -1.834
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: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -535.638312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.638312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.638312 (E_RNA)
where:
Base-Base interactions energy: -370.775
where: short stacking energy: -167.561
Base-Backbone interact. energy: -0.140
local terms energy: -164.724016
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -30.504
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -47.991
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: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -535.301247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.301247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.301247 (E_RNA)
where:
Base-Base interactions energy: -364.508
where: short stacking energy: -166.126
Base-Backbone interact. energy: 0.055
local terms energy: -170.848341
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -30.430
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -46.601
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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -520.895257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.895257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.895257 (E_RNA)
where:
Base-Base interactions energy: -341.751
where: short stacking energy: -145.079
Base-Backbone interact. energy: -0.096
local terms energy: -179.048062
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -45.664
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: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -491.941506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.941506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.941506 (E_RNA)
where:
Base-Base interactions energy: -322.931
where: short stacking energy: -153.615
Base-Backbone interact. energy: -0.035
local terms energy: -168.975731
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -48.043
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: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -443.918948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.918948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.918948 (E_RNA)
where:
Base-Base interactions energy: -284.554
where: short stacking energy: -140.736
Base-Backbone interact. energy: -0.932
local terms energy: -158.432275
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -40.454
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: 50
Temperature: 1.150000
Total energy: -390.978746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.978746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.978746 (E_RNA)
where:
Base-Base interactions energy: -255.444
where: short stacking energy: -108.031
Base-Backbone interact. energy: -0.154
local terms energy: -135.380001
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -427.101676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.101676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.101676 (E_RNA)
where:
Base-Base interactions energy: -278.747
where: short stacking energy: -121.607
Base-Backbone interact. energy: -0.221
local terms energy: -148.133137
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -36.051
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: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -230.809442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.809442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.809442 (E_RNA)
where:
Base-Base interactions energy: -124.489
where: short stacking energy: -55.316
Base-Backbone interact. energy: -0.657
local terms energy: -105.663051
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -3.393
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: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -159.197661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.197661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.197661 (E_RNA)
where:
Base-Base interactions energy: -54.492
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.055
local terms energy: -104.650800
where:
bonds (distance) C4'-P energy: -25.652
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -147.114603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.114603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.114603 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -36.257
Base-Backbone interact. energy: 2.287
local terms energy: -99.335600
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -536.717284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.717284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.717284 (E_RNA)
where:
Base-Base interactions energy: -362.026
where: short stacking energy: -160.057
Base-Backbone interact. energy: -1.738
local terms energy: -172.952709
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -37.805
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -49.995
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: 2, replica: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -533.042680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.042680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.042680 (E_RNA)
where:
Base-Base interactions energy: -364.986
where: short stacking energy: -163.171
Base-Backbone interact. energy: -0.606
local terms energy: -167.450550
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -48.509
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: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -522.666367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.666367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.666367 (E_RNA)
where:
Base-Base interactions energy: -357.644
where: short stacking energy: -139.960
Base-Backbone interact. energy: -0.068
local terms energy: -164.954354
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -48.316
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: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -467.097056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.097056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.097056 (E_RNA)
where:
Base-Base interactions energy: -306.901
where: short stacking energy: -151.387
Base-Backbone interact. energy: -0.248
local terms energy: -159.948813
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -49.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -416.049693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.049693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.049693 (E_RNA)
where:
Base-Base interactions energy: -258.513
where: short stacking energy: -116.743
Base-Backbone interact. energy: -0.269
local terms energy: -157.268074
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -24.404
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: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -426.809827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.809827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.809827 (E_RNA)
where:
Base-Base interactions energy: -274.081
where: short stacking energy: -125.547
Base-Backbone interact. energy: -0.137
local terms energy: -152.591915
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -29.733
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: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -385.007740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.007740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.007740 (E_RNA)
where:
Base-Base interactions energy: -261.101
where: short stacking energy: -102.517
Base-Backbone interact. energy: -0.595
local terms energy: -123.311318
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -22.876
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -194.571699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.571699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.571699 (E_RNA)
where:
Base-Base interactions energy: -83.302
where: short stacking energy: -73.887
Base-Backbone interact. energy: -0.671
local terms energy: -110.598937
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -13.533
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: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -173.066716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.066716 (E_RNA)
where:
Base-Base interactions energy: -77.059
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.172
local terms energy: -95.836349
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -152.718204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.718204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.718204 (E_RNA)
where:
Base-Base interactions energy: -65.259
where: short stacking energy: -44.733
Base-Backbone interact. energy: -1.460
local terms energy: -85.999341
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -560.405289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.405289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.405289 (E_RNA)
where:
Base-Base interactions energy: -379.986
where: short stacking energy: -156.166
Base-Backbone interact. energy: -0.358
local terms energy: -180.061755
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -33.646
flat angles C4'-P-C4' energy: -38.550
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -44.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -536.647737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.647737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.647737 (E_RNA)
where:
Base-Base interactions energy: -353.789
where: short stacking energy: -156.259
Base-Backbone interact. energy: -0.369
local terms energy: -182.489567
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -41.279
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -48.724
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -522.296395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.296395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.296395 (E_RNA)
where:
Base-Base interactions energy: -356.723
where: short stacking energy: -146.645
Base-Backbone interact. energy: -1.482
local terms energy: -164.091804
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -484.890941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.890941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.890941 (E_RNA)
where:
Base-Base interactions energy: -309.796
where: short stacking energy: -149.494
Base-Backbone interact. energy: -0.144
local terms energy: -174.950872
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -50.034
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: 52
Temperature: 1.100000
Total energy: -414.996414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.996414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.996414 (E_RNA)
where:
Base-Base interactions energy: -264.391
where: short stacking energy: -125.297
Base-Backbone interact. energy: -0.131
local terms energy: -150.474045
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -35.690
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: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -381.420424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.420424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.420424 (E_RNA)
where:
Base-Base interactions energy: -250.863
where: short stacking energy: -111.163
Base-Backbone interact. energy: -0.468
local terms energy: -130.089384
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -28.956
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -27.913
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: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -377.827681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.827681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.827681 (E_RNA)
where:
Base-Base interactions energy: -258.924
where: short stacking energy: -109.755
Base-Backbone interact. energy: 0.260
local terms energy: -119.164511
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -178.225149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.225149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.225149 (E_RNA)
where:
Base-Base interactions energy: -85.350
where: short stacking energy: -46.376
Base-Backbone interact. energy: -1.327
local terms energy: -91.547909
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -156.756593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.756593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.756593 (E_RNA)
where:
Base-Base interactions energy: -47.818
where: short stacking energy: -41.535
Base-Backbone interact. energy: -0.182
local terms energy: -108.756291
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -147.487592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.487592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.487592 (E_RNA)
where:
Base-Base interactions energy: -49.627
where: short stacking energy: -49.000
Base-Backbone interact. energy: -1.097
local terms energy: -96.763953
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -545.626630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.626630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.626630 (E_RNA)
where:
Base-Base interactions energy: -380.286
where: short stacking energy: -150.008
Base-Backbone interact. energy: 0.937
local terms energy: -166.277656
where:
bonds (distance) C4'-P energy: -29.071
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -36.295
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -41.410
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: 53
Temperature: 0.950000
Total energy: -544.231997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.231997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.231997 (E_RNA)
where:
Base-Base interactions energy: -364.978
where: short stacking energy: -169.575
Base-Backbone interact. energy: -0.428
local terms energy: -178.825748
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -53.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -521.597983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.597983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.597983 (E_RNA)
where:
Base-Base interactions energy: -356.660
where: short stacking energy: -143.622
Base-Backbone interact. energy: -0.384
local terms energy: -164.554609
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -41.913
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: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -485.122806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.122806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.122806 (E_RNA)
where:
Base-Base interactions energy: -313.637
where: short stacking energy: -141.139
Base-Backbone interact. energy: -0.009
local terms energy: -171.476455
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -38.706
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -46.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -438.240736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.240736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.240736 (E_RNA)
where:
Base-Base interactions energy: -271.969
where: short stacking energy: -137.309
Base-Backbone interact. energy: 0.249
local terms energy: -166.520430
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -40.268
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: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -389.139742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.139742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.139742 (E_RNA)
where:
Base-Base interactions energy: -250.355
where: short stacking energy: -105.785
Base-Backbone interact. energy: -0.467
local terms energy: -138.317065
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -26.539
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: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -371.172808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.172808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.172808 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -115.877
Base-Backbone interact. energy: -0.427
local terms energy: -146.751023
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -33.213
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: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -175.965465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.965465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.965465 (E_RNA)
where:
Base-Base interactions energy: -75.819
where: short stacking energy: -59.959
Base-Backbone interact. energy: 0.419
local terms energy: -100.564896
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -9.845
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: 53
Temperature: 1.300000
Total energy: -151.627767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.627767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.627767 (E_RNA)
where:
Base-Base interactions energy: -52.784
where: short stacking energy: -40.635
Base-Backbone interact. energy: 0.290
local terms energy: -99.134210
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -137.080384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.080384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.080384 (E_RNA)
where:
Base-Base interactions energy: -47.415
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.568
local terms energy: -89.096731
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -27.487
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: 12.298
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: 54
Temperature: 0.900000
Total energy: -553.490536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.490536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.490536 (E_RNA)
where:
Base-Base interactions energy: -378.255
where: short stacking energy: -151.394
Base-Backbone interact. energy: -0.069
local terms energy: -175.167412
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -34.657
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -45.403
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: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -542.428047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.428047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.428047 (E_RNA)
where:
Base-Base interactions energy: -373.898
where: short stacking energy: -149.789
Base-Backbone interact. energy: -0.203
local terms energy: -168.327584
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -44.414
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -532.170106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.170106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.170106 (E_RNA)
where:
Base-Base interactions energy: -365.097
where: short stacking energy: -149.364
Base-Backbone interact. energy: -0.205
local terms energy: -166.868459
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -42.415
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: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -488.492486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.492486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.492486 (E_RNA)
where:
Base-Base interactions energy: -308.200
where: short stacking energy: -147.526
Base-Backbone interact. energy: -0.005
local terms energy: -180.287530
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -52.960
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: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -437.821002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.821002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.821002 (E_RNA)
where:
Base-Base interactions energy: -283.577
where: short stacking energy: -138.540
Base-Backbone interact. energy: -0.538
local terms energy: -153.705769
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -44.088
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -398.108027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.108027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.108027 (E_RNA)
where:
Base-Base interactions energy: -255.434
where: short stacking energy: -117.440
Base-Backbone interact. energy: -0.745
local terms energy: -141.928483
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -32.268
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -30.211
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: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -366.338203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.338203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.338203 (E_RNA)
where:
Base-Base interactions energy: -237.995
where: short stacking energy: -118.164
Base-Backbone interact. energy: -0.614
local terms energy: -127.728951
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -32.173
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: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -172.290319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.290319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.290319 (E_RNA)
where:
Base-Base interactions energy: -70.533
where: short stacking energy: -53.880
Base-Backbone interact. energy: -0.086
local terms energy: -101.670617
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -161.217269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.217269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.217269 (E_RNA)
where:
Base-Base interactions energy: -57.297
where: short stacking energy: -55.753
Base-Backbone interact. energy: -2.444
local terms energy: -101.475933
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: 0.755
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: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -137.181803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.181803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.181803 (E_RNA)
where:
Base-Base interactions energy: -42.182
where: short stacking energy: -41.009
Base-Backbone interact. energy: -0.563
local terms energy: -94.436581
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: 2.688
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: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -545.228173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.228173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.228173 (E_RNA)
where:
Base-Base interactions energy: -376.765
where: short stacking energy: -165.674
Base-Backbone interact. energy: -0.452
local terms energy: -168.011595
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -51.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -545.871758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.871758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.871758 (E_RNA)
where:
Base-Base interactions energy: -374.908
where: short stacking energy: -163.405
Base-Backbone interact. energy: -1.414
local terms energy: -169.549473
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -38.312
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -47.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -518.342302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.342302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.342302 (E_RNA)
where:
Base-Base interactions energy: -358.502
where: short stacking energy: -145.701
Base-Backbone interact. energy: -0.474
local terms energy: -159.366405
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -39.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -490.313007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.313007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.313007 (E_RNA)
where:
Base-Base interactions energy: -319.171
where: short stacking energy: -149.003
Base-Backbone interact. energy: 0.365
local terms energy: -171.506995
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -37.050
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -45.551
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: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -430.351836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.351836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.351836 (E_RNA)
where:
Base-Base interactions energy: -270.599
where: short stacking energy: -126.052
Base-Backbone interact. energy: -1.723
local terms energy: -158.029602
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -38.810
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -418.261868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.261868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.261868 (E_RNA)
where:
Base-Base interactions energy: -273.004
where: short stacking energy: -108.286
Base-Backbone interact. energy: -1.749
local terms energy: -143.508782
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -379.500077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.500077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.500077 (E_RNA)
where:
Base-Base interactions energy: -246.868
where: short stacking energy: -117.659
Base-Backbone interact. energy: 0.442
local terms energy: -133.073468
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -34.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -167.568320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.568320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.568320 (E_RNA)
where:
Base-Base interactions energy: -60.237
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.509
local terms energy: -106.822648
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -6.781
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -166.845840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.845840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.845840 (E_RNA)
where:
Base-Base interactions energy: -66.618
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.346
local terms energy: -99.881758
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -20.866
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: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -136.840208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.840208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.840208 (E_RNA)
where:
Base-Base interactions energy: -63.565
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.786
local terms energy: -72.489086
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: 6.522
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: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -565.680229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.680229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.680229 (E_RNA)
where:
Base-Base interactions energy: -382.823
where: short stacking energy: -163.910
Base-Backbone interact. energy: -0.075
local terms energy: -182.782121
where:
bonds (distance) C4'-P energy: -36.489
bonds (distance) P-C4' energy: -36.180
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -50.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -541.274813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.274813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.274813 (E_RNA)
where:
Base-Base interactions energy: -368.310
where: short stacking energy: -153.528
Base-Backbone interact. energy: -0.115
local terms energy: -172.850072
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -29.042
tors. eta vs tors. theta energy: -45.960
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: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -542.054359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.054359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.054359 (E_RNA)
where:
Base-Base interactions energy: -375.784
where: short stacking energy: -155.860
Base-Backbone interact. energy: -0.284
local terms energy: -165.985713
where:
bonds (distance) C4'-P energy: -34.886
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -44.918
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: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -492.823773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.823773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.823773 (E_RNA)
where:
Base-Base interactions energy: -311.915
where: short stacking energy: -151.600
Base-Backbone interact. energy: -0.189
local terms energy: -180.720424
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -50.784
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: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -406.696411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.696411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.696411 (E_RNA)
where:
Base-Base interactions energy: -264.210
where: short stacking energy: -103.192
Base-Backbone interact. energy: -0.293
local terms energy: -142.194142
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -33.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -444.328077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.328077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.328077 (E_RNA)
where:
Base-Base interactions energy: -285.708
where: short stacking energy: -145.753
Base-Backbone interact. energy: -0.947
local terms energy: -157.672830
where:
bonds (distance) C4'-P energy: -30.343
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -41.704
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: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -373.861541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.861541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.861541 (E_RNA)
where:
Base-Base interactions energy: -232.219
where: short stacking energy: -108.799
Base-Backbone interact. energy: -0.035
local terms energy: -141.607306
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -33.551
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: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -166.118385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.118385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.118385 (E_RNA)
where:
Base-Base interactions energy: -63.791
where: short stacking energy: -56.557
Base-Backbone interact. energy: -0.219
local terms energy: -102.109123
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -255.043639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.043639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.043639 (E_RNA)
where:
Base-Base interactions energy: -140.707
where: short stacking energy: -71.744
Base-Backbone interact. energy: 0.696
local terms energy: -115.032843
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -158.919175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.919175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.919175 (E_RNA)
where:
Base-Base interactions energy: -52.495
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.272
local terms energy: -106.151787
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -552.773786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.773786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.773786 (E_RNA)
where:
Base-Base interactions energy: -371.232
where: short stacking energy: -154.712
Base-Backbone interact. energy: -0.943
local terms energy: -180.599421
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -34.654
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -48.427
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: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -534.738330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.738330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.738330 (E_RNA)
where:
Base-Base interactions energy: -361.171
where: short stacking energy: -154.001
Base-Backbone interact. energy: -0.306
local terms energy: -173.261757
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -48.517
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: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -518.993825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.993825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.993825 (E_RNA)
where:
Base-Base interactions energy: -360.555
where: short stacking energy: -148.719
Base-Backbone interact. energy: -0.149
local terms energy: -158.289353
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -44.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -420.769695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.769695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.769695 (E_RNA)
where:
Base-Base interactions energy: -273.191
where: short stacking energy: -106.719
Base-Backbone interact. energy: -0.883
local terms energy: -146.695823
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -26.334
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: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -462.035071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.035071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.035071 (E_RNA)
where:
Base-Base interactions energy: -304.605
where: short stacking energy: -143.925
Base-Backbone interact. energy: -1.341
local terms energy: -156.089666
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -45.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -425.419212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.419212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.419212 (E_RNA)
where:
Base-Base interactions energy: -279.776
where: short stacking energy: -134.240
Base-Backbone interact. energy: -0.829
local terms energy: -144.814363
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -36.698
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: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -380.538744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.538744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.538744 (E_RNA)
where:
Base-Base interactions energy: -239.141
where: short stacking energy: -93.267
Base-Backbone interact. energy: -0.313
local terms energy: -141.085245
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -252.309930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.309930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.309930 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.489
local terms energy: -111.017874
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -9.278
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: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -140.848383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.848383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.848383 (E_RNA)
where:
Base-Base interactions energy: -50.461
where: short stacking energy: -30.650
Base-Backbone interact. energy: 0.176
local terms energy: -90.563155
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: 4.861
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: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -138.829078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.829078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.829078 (E_RNA)
where:
Base-Base interactions energy: -62.701
where: short stacking energy: -51.363
Base-Backbone interact. energy: -0.001
local terms energy: -76.127231
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: 6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -552.528621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.528621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.528621 (E_RNA)
where:
Base-Base interactions energy: -370.431
where: short stacking energy: -161.537
Base-Backbone interact. energy: -0.635
local terms energy: -181.462179
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -48.677
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: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -526.508984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.508984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.508984 (E_RNA)
where:
Base-Base interactions energy: -343.335
where: short stacking energy: -157.439
Base-Backbone interact. energy: -0.726
local terms energy: -182.448098
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -36.716
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -47.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -530.105536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.105536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.105536 (E_RNA)
where:
Base-Base interactions energy: -358.578
where: short stacking energy: -147.625
Base-Backbone interact. energy: -0.224
local terms energy: -171.303936
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -37.752
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -45.714
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -429.124513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.124513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.124513 (E_RNA)
where:
Base-Base interactions energy: -289.531
where: short stacking energy: -129.639
Base-Backbone interact. energy: -0.377
local terms energy: -139.215858
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -459.532792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.532792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.532792 (E_RNA)
where:
Base-Base interactions energy: -305.825
where: short stacking energy: -132.723
Base-Backbone interact. energy: -0.210
local terms energy: -153.497679
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -46.686
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: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -436.316401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.316401 (E_RNA)
where:
Base-Base interactions energy: -287.744
where: short stacking energy: -141.518
Base-Backbone interact. energy: 1.760
local terms energy: -150.332289
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -26.552
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -41.236
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: 58
Temperature: 1.200000
Total energy: -386.080896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.080896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.080896 (E_RNA)
where:
Base-Base interactions energy: -253.040
where: short stacking energy: -119.369
Base-Backbone interact. energy: -0.119
local terms energy: -132.922228
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -32.050
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -246.387737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.387737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.387737 (E_RNA)
where:
Base-Base interactions energy: -131.688
where: short stacking energy: -61.710
Base-Backbone interact. energy: 0.177
local terms energy: -114.877279
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -7.929
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: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -161.283477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.283477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.283477 (E_RNA)
where:
Base-Base interactions energy: -58.141
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.378
local terms energy: -102.764735
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -27.275
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -8.350
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: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -140.165035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.165035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.165035 (E_RNA)
where:
Base-Base interactions energy: -48.209
where: short stacking energy: -48.209
Base-Backbone interact. energy: -0.129
local terms energy: -91.826685
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -4.671
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -8.272
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: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -554.489250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.489250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.489250 (E_RNA)
where:
Base-Base interactions energy: -388.113
where: short stacking energy: -163.159
Base-Backbone interact. energy: -1.268
local terms energy: -165.108582
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -46.758
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: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -539.268830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.268830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.268830 (E_RNA)
where:
Base-Base interactions energy: -359.077
where: short stacking energy: -149.995
Base-Backbone interact. energy: -1.914
local terms energy: -178.277930
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -35.609
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -47.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -524.328779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.328779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.328779 (E_RNA)
where:
Base-Base interactions energy: -351.779
where: short stacking energy: -150.597
Base-Backbone interact. energy: -0.054
local terms energy: -172.496420
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -46.638
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: 59
Temperature: 1.050000
Total energy: -487.649287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.649287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.649287 (E_RNA)
where:
Base-Base interactions energy: -324.640
where: short stacking energy: -148.427
Base-Backbone interact. energy: -0.165
local terms energy: -162.844151
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -51.545
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: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -426.077152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.077152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.077152 (E_RNA)
where:
Base-Base interactions energy: -277.012
where: short stacking energy: -119.818
Base-Backbone interact. energy: -0.904
local terms energy: -148.160440
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -32.148
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: 59
Temperature: 1.150000
Total energy: -404.446795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.446795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.446795 (E_RNA)
where:
Base-Base interactions energy: -275.743
where: short stacking energy: -115.162
Base-Backbone interact. energy: -1.124
local terms energy: -127.579772
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -23.002
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: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -362.988720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.988720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.988720 (E_RNA)
where:
Base-Base interactions energy: -227.384
where: short stacking energy: -108.019
Base-Backbone interact. energy: 2.092
local terms energy: -137.696833
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -273.742218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.742218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.742218 (E_RNA)
where:
Base-Base interactions energy: -162.954
where: short stacking energy: -79.334
Base-Backbone interact. energy: -0.673
local terms energy: -110.114609
where:
bonds (distance) C4'-P energy: -33.650
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -16.278
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: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -168.170842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.170842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.170842 (E_RNA)
where:
Base-Base interactions energy: -69.010
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.567
local terms energy: -98.594072
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -14.475
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: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -148.637239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.637239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.637239 (E_RNA)
where:
Base-Base interactions energy: -48.455
where: short stacking energy: -45.429
Base-Backbone interact. energy: 0.061
local terms energy: -100.243012
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -0.635
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: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -549.251654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.251654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.251654 (E_RNA)
where:
Base-Base interactions energy: -375.406
where: short stacking energy: -159.093
Base-Backbone interact. energy: -0.362
local terms energy: -173.483463
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -49.956
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: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -535.306281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.306281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.306281 (E_RNA)
where:
Base-Base interactions energy: -363.187
where: short stacking energy: -154.831
Base-Backbone interact. energy: -0.569
local terms energy: -171.549965
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -45.522
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: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -525.559786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.559786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.559786 (E_RNA)
where:
Base-Base interactions energy: -358.322
where: short stacking energy: -157.278
Base-Backbone interact. energy: -0.209
local terms energy: -167.029040
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -44.250
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: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -491.678649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.678649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.678649 (E_RNA)
where:
Base-Base interactions energy: -332.097
where: short stacking energy: -147.304
Base-Backbone interact. energy: -0.094
local terms energy: -159.488333
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -48.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -436.879483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.879483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.879483 (E_RNA)
where:
Base-Base interactions energy: -292.019
where: short stacking energy: -138.132
Base-Backbone interact. energy: -0.801
local terms energy: -144.058844
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -32.848
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -35.866
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: 60
Temperature: 1.150000
Total energy: -427.915732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.915732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.915732 (E_RNA)
where:
Base-Base interactions energy: -285.212
where: short stacking energy: -110.146
Base-Backbone interact. energy: -1.429
local terms energy: -141.275065
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -27.384
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -27.029
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -329.015261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.015261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.015261 (E_RNA)
where:
Base-Base interactions energy: -215.418
where: short stacking energy: -87.253
Base-Backbone interact. energy: -0.317
local terms energy: -113.280216
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -15.026
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: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -271.112840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.112840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.112840 (E_RNA)
where:
Base-Base interactions energy: -162.348
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.720
local terms energy: -108.044480
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -10.086
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: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -160.326573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.326573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.326573 (E_RNA)
where:
Base-Base interactions energy: -50.143
where: short stacking energy: -49.012
Base-Backbone interact. energy: 0.987
local terms energy: -111.170640
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -148.007638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.007638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.007638 (E_RNA)
where:
Base-Base interactions energy: -52.189
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.228
local terms energy: -95.591234
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -13.234
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: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -553.511113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.511113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.511113 (E_RNA)
where:
Base-Base interactions energy: -379.729
where: short stacking energy: -159.596
Base-Backbone interact. energy: -2.333
local terms energy: -171.449054
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -38.552
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -44.938
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: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -531.305463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.305463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.305463 (E_RNA)
where:
Base-Base interactions energy: -356.995
where: short stacking energy: -157.469
Base-Backbone interact. energy: 0.490
local terms energy: -174.800665
where:
bonds (distance) C4'-P energy: -30.006
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -48.744
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: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -527.998044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.998044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.998044 (E_RNA)
where:
Base-Base interactions energy: -361.989
where: short stacking energy: -152.165
Base-Backbone interact. energy: -0.099
local terms energy: -165.909868
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -43.828
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: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -476.546728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.546728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.546728 (E_RNA)
where:
Base-Base interactions energy: -318.792
where: short stacking energy: -133.141
Base-Backbone interact. energy: 0.359
local terms energy: -158.113276
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -45.219
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: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -470.076505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.076505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.076505 (E_RNA)
where:
Base-Base interactions energy: -321.438
where: short stacking energy: -145.570
Base-Backbone interact. energy: -0.699
local terms energy: -147.939145
where:
bonds (distance) C4'-P energy: -31.802
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -45.710
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: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -435.133249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.133249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.133249 (E_RNA)
where:
Base-Base interactions energy: -279.728
where: short stacking energy: -118.878
Base-Backbone interact. energy: -0.384
local terms energy: -155.020979
where:
bonds (distance) C4'-P energy: -36.016
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -33.098
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -357.262253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.262253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.262253 (E_RNA)
where:
Base-Base interactions energy: -220.279
where: short stacking energy: -105.637
Base-Backbone interact. energy: -0.388
local terms energy: -136.595742
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -24.285
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: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -249.754456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.754456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.754456 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -66.281
Base-Backbone interact. energy: 0.104
local terms energy: -115.499468
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -33.421
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -16.491
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: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -170.381342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.381342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.381342 (E_RNA)
where:
Base-Base interactions energy: -50.793
where: short stacking energy: -44.132
Base-Backbone interact. energy: -1.835
local terms energy: -117.753447
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -138.603807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.603807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.603807 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -34.231
Base-Backbone interact. energy: 0.958
local terms energy: -97.393137
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: 3.977
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: 62
Temperature: 0.900000
Total energy: -546.756830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.756830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.756830 (E_RNA)
where:
Base-Base interactions energy: -367.364
where: short stacking energy: -161.826
Base-Backbone interact. energy: -0.389
local terms energy: -179.004338
where:
bonds (distance) C4'-P energy: -29.633
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -33.870
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -50.928
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: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -537.397377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.397377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.397377 (E_RNA)
where:
Base-Base interactions energy: -383.299
where: short stacking energy: -163.304
Base-Backbone interact. energy: -0.331
local terms energy: -153.767165
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -27.398
flat angles P-C4'-P energy: -27.285
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: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -526.095551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.095551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.095551 (E_RNA)
where:
Base-Base interactions energy: -363.348
where: short stacking energy: -147.400
Base-Backbone interact. energy: -0.663
local terms energy: -162.084150
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -44.127
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: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -463.469300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.469300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.469300 (E_RNA)
where:
Base-Base interactions energy: -296.462
where: short stacking energy: -141.295
Base-Backbone interact. energy: -0.666
local terms energy: -166.341219
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -49.128
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -421.596470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.596470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.596470 (E_RNA)
where:
Base-Base interactions energy: -282.507
where: short stacking energy: -112.568
Base-Backbone interact. energy: -0.629
local terms energy: -138.460439
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -32.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -427.838363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.838363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.838363 (E_RNA)
where:
Base-Base interactions energy: -275.239
where: short stacking energy: -130.633
Base-Backbone interact. energy: -0.080
local terms energy: -152.519027
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -40.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -373.713762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.713762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.713762 (E_RNA)
where:
Base-Base interactions energy: -234.868
where: short stacking energy: -101.174
Base-Backbone interact. energy: 0.375
local terms energy: -139.220195
where:
bonds (distance) C4'-P energy: -31.926
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -27.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -294.157147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.157147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.157147 (E_RNA)
where:
Base-Base interactions energy: -180.084
where: short stacking energy: -86.087
Base-Backbone interact. energy: 0.157
local terms energy: -114.230899
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -164.318307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.318307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.318307 (E_RNA)
where:
Base-Base interactions energy: -67.157
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.108
local terms energy: -97.053994
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: 3.831
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -146.564584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.564584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.564584 (E_RNA)
where:
Base-Base interactions energy: -62.759
where: short stacking energy: -43.789
Base-Backbone interact. energy: 1.493
local terms energy: -85.298385
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -4.660
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: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -548.006698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.006698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.006698 (E_RNA)
where:
Base-Base interactions energy: -373.857
where: short stacking energy: -160.751
Base-Backbone interact. energy: 0.554
local terms energy: -174.703804
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -39.591
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -50.879
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: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -546.821276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.821276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.821276 (E_RNA)
where:
Base-Base interactions energy: -384.502
where: short stacking energy: -176.665
Base-Backbone interact. energy: 0.157
local terms energy: -162.476394
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -39.406
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -46.448
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: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -509.372766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.372766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.372766 (E_RNA)
where:
Base-Base interactions energy: -349.670
where: short stacking energy: -145.580
Base-Backbone interact. energy: 1.156
local terms energy: -160.858970
where:
bonds (distance) C4'-P energy: -36.886
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -32.303
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -42.435
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: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -445.255166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.255166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.255166 (E_RNA)
where:
Base-Base interactions energy: -283.485
where: short stacking energy: -131.271
Base-Backbone interact. energy: 0.336
local terms energy: -162.105592
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -39.095
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: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -435.318333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.318333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.318333 (E_RNA)
where:
Base-Base interactions energy: -295.678
where: short stacking energy: -126.281
Base-Backbone interact. energy: 0.039
local terms energy: -139.679693
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -33.024
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: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -406.839375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.839375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.839375 (E_RNA)
where:
Base-Base interactions energy: -264.958
where: short stacking energy: -114.424
Base-Backbone interact. energy: -0.377
local terms energy: -141.504452
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -33.602
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: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -370.864922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.864922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.864922 (E_RNA)
where:
Base-Base interactions energy: -246.655
where: short stacking energy: -109.552
Base-Backbone interact. energy: -0.436
local terms energy: -123.774154
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -283.423380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.423380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.423380 (E_RNA)
where:
Base-Base interactions energy: -167.916
where: short stacking energy: -79.497
Base-Backbone interact. energy: 1.394
local terms energy: -116.901532
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -161.591982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.591982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.591982 (E_RNA)
where:
Base-Base interactions energy: -69.859
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.460
local terms energy: -91.272265
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -1.511
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: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -136.108838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.108838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.108838 (E_RNA)
where:
Base-Base interactions energy: -48.580
where: short stacking energy: -42.894
Base-Backbone interact. energy: -1.187
local terms energy: -86.342769
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: 0.314
tors. eta vs tors. theta energy: -5.601
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: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -567.855224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.855224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.855224 (E_RNA)
where:
Base-Base interactions energy: -389.447
where: short stacking energy: -159.816
Base-Backbone interact. energy: -0.756
local terms energy: -177.652494
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -38.077
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -43.325
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: 64
Temperature: 0.950000
Total energy: -537.110063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.110063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.110063 (E_RNA)
where:
Base-Base interactions energy: -359.100
where: short stacking energy: -159.471
Base-Backbone interact. energy: -0.659
local terms energy: -177.350468
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -51.206
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: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -517.850368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.850368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.850368 (E_RNA)
where:
Base-Base interactions energy: -353.795
where: short stacking energy: -154.991
Base-Backbone interact. energy: -0.180
local terms energy: -163.875220
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -47.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -462.496607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.496607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.496607 (E_RNA)
where:
Base-Base interactions energy: -298.665
where: short stacking energy: -140.704
Base-Backbone interact. energy: -0.140
local terms energy: -163.691604
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -43.801
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: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -400.295815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.295815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.295815 (E_RNA)
where:
Base-Base interactions energy: -268.241
where: short stacking energy: -130.973
Base-Backbone interact. energy: -0.231
local terms energy: -131.824254
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -38.491
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -410.139274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.139274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.139274 (E_RNA)
where:
Base-Base interactions energy: -266.526
where: short stacking energy: -110.129
Base-Backbone interact. energy: -0.466
local terms energy: -143.147537
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -25.673
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: 64
Temperature: 1.200000
Total energy: -342.322322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.322322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.322322 (E_RNA)
where:
Base-Base interactions energy: -216.999
where: short stacking energy: -91.259
Base-Backbone interact. energy: 0.323
local terms energy: -125.646908
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -274.603153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.603153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.603153 (E_RNA)
where:
Base-Base interactions energy: -157.823
where: short stacking energy: -81.628
Base-Backbone interact. energy: -1.377
local terms energy: -115.403766
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -166.995838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.995838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.995838 (E_RNA)
where:
Base-Base interactions energy: -63.562
where: short stacking energy: -52.071
Base-Backbone interact. energy: 1.541
local terms energy: -104.974341
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -5.221
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: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -135.485936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.485936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.485936 (E_RNA)
where:
Base-Base interactions energy: -48.617
where: short stacking energy: -29.897
Base-Backbone interact. energy: 0.627
local terms energy: -87.496309
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: 3.118
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: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -563.440915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.440915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.440915 (E_RNA)
where:
Base-Base interactions energy: -398.217
where: short stacking energy: -160.583
Base-Backbone interact. energy: 0.359
local terms energy: -165.582784
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -44.278
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: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -541.174910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.174910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.174910 (E_RNA)
where:
Base-Base interactions energy: -367.501
where: short stacking energy: -158.338
Base-Backbone interact. energy: -1.446
local terms energy: -172.228336
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -49.639
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: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -526.664782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.664782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.664782 (E_RNA)
where:
Base-Base interactions energy: -353.333
where: short stacking energy: -143.735
Base-Backbone interact. energy: -0.080
local terms energy: -173.251651
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -48.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -475.246062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.246062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.246062 (E_RNA)
where:
Base-Base interactions energy: -312.615
where: short stacking energy: -138.764
Base-Backbone interact. energy: -0.314
local terms energy: -162.317333
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -43.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -433.185098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.185098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.185098 (E_RNA)
where:
Base-Base interactions energy: -264.524
where: short stacking energy: -132.811
Base-Backbone interact. energy: -0.382
local terms energy: -168.278474
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -41.594
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: 65
Temperature: 1.150000
Total energy: -411.828333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.828333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.828333 (E_RNA)
where:
Base-Base interactions energy: -269.068
where: short stacking energy: -105.479
Base-Backbone interact. energy: -0.796
local terms energy: -141.964404
where:
bonds (distance) C4'-P energy: -27.152
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -26.109
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: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -345.241774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.241774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.241774 (E_RNA)
where:
Base-Base interactions energy: -224.431
where: short stacking energy: -100.343
Base-Backbone interact. energy: -0.798
local terms energy: -120.013250
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -18.879
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -267.702487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.702487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.702487 (E_RNA)
where:
Base-Base interactions energy: -151.577
where: short stacking energy: -78.389
Base-Backbone interact. energy: 0.675
local terms energy: -116.801120
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -18.150
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: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -200.057199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.057199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.057199 (E_RNA)
where:
Base-Base interactions energy: -101.087
where: short stacking energy: -63.297
Base-Backbone interact. energy: 1.599
local terms energy: -100.569247
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -1.653
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: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -139.812594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.812594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.812594 (E_RNA)
where:
Base-Base interactions energy: -50.069
where: short stacking energy: -49.467
Base-Backbone interact. energy: 0.105
local terms energy: -89.849193
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -564.556632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.556632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.556632 (E_RNA)
where:
Base-Base interactions energy: -379.385
where: short stacking energy: -167.606
Base-Backbone interact. energy: -0.333
local terms energy: -184.838041
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -32.273
flat angles C4'-P-C4' energy: -40.735
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -50.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -546.245685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.245685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.245685 (E_RNA)
where:
Base-Base interactions energy: -367.789
where: short stacking energy: -152.792
Base-Backbone interact. energy: -1.053
local terms energy: -177.403973
where:
bonds (distance) C4'-P energy: -31.024
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -49.210
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: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -509.753899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.753899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.753899 (E_RNA)
where:
Base-Base interactions energy: -347.909
where: short stacking energy: -141.172
Base-Backbone interact. energy: 0.371
local terms energy: -162.215262
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -37.819
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: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -457.727245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.727245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.727245 (E_RNA)
where:
Base-Base interactions energy: -301.206
where: short stacking energy: -136.971
Base-Backbone interact. energy: -0.730
local terms energy: -155.790843
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -47.720
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: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -446.248640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.248640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.248640 (E_RNA)
where:
Base-Base interactions energy: -292.050
where: short stacking energy: -128.013
Base-Backbone interact. energy: -0.399
local terms energy: -153.800103
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -34.748
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -39.825
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: 66
Temperature: 1.150000
Total energy: -416.616689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.616689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.616689 (E_RNA)
where:
Base-Base interactions energy: -274.135
where: short stacking energy: -119.866
Base-Backbone interact. energy: -1.378
local terms energy: -141.103774
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -35.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -301.855876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.855876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.855876 (E_RNA)
where:
Base-Base interactions energy: -183.216
where: short stacking energy: -90.051
Base-Backbone interact. energy: 0.119
local terms energy: -118.759371
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -32.895
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -22.819
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: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -251.177932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.177932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.177932 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -73.805
Base-Backbone interact. energy: -0.518
local terms energy: -112.343867
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -19.213
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: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -227.767560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.767560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.767560 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -82.797
Base-Backbone interact. energy: 0.246
local terms energy: -93.751895
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -16.211
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: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -148.628078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.628078 (E_RNA)
where:
Base-Base interactions energy: -44.209
where: short stacking energy: -29.228
Base-Backbone interact. energy: 0.379
local terms energy: -104.797836
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -35.556
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: 1.625
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: 67
Temperature: 0.900000
Total energy: -558.932422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.932422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.932422 (E_RNA)
where:
Base-Base interactions energy: -396.735
where: short stacking energy: -169.583
Base-Backbone interact. energy: -0.946
local terms energy: -161.252124
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -24.510
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: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -520.027467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.027467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.027467 (E_RNA)
where:
Base-Base interactions energy: -365.702
where: short stacking energy: -151.925
Base-Backbone interact. energy: -0.128
local terms energy: -154.197181
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -45.248
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: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -530.765414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.765414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.765414 (E_RNA)
where:
Base-Base interactions energy: -363.488
where: short stacking energy: -159.289
Base-Backbone interact. energy: -0.392
local terms energy: -166.885464
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -39.140
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -44.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -453.806153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.806153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.806153 (E_RNA)
where:
Base-Base interactions energy: -306.763
where: short stacking energy: -124.213
Base-Backbone interact. energy: -0.350
local terms energy: -146.692632
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -34.427
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -41.449
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: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -437.322507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.322507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.322507 (E_RNA)
where:
Base-Base interactions energy: -283.253
where: short stacking energy: -125.354
Base-Backbone interact. energy: -0.504
local terms energy: -153.565639
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -35.207
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -416.150175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.150175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.150175 (E_RNA)
where:
Base-Base interactions energy: -274.966
where: short stacking energy: -112.949
Base-Backbone interact. energy: -0.581
local terms energy: -140.603952
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -32.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -306.644997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.644997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.644997 (E_RNA)
where:
Base-Base interactions energy: -191.260
where: short stacking energy: -96.420
Base-Backbone interact. energy: -0.519
local terms energy: -114.866251
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -22.564
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: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -240.921603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.921603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.921603 (E_RNA)
where:
Base-Base interactions energy: -123.437
where: short stacking energy: -76.991
Base-Backbone interact. energy: 0.528
local terms energy: -118.012383
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -16.786
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: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -228.651588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.651588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.651588 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -59.505
Base-Backbone interact. energy: -0.299
local terms energy: -93.938050
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -171.332559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.332559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.332559 (E_RNA)
where:
Base-Base interactions energy: -65.869
where: short stacking energy: -37.540
Base-Backbone interact. energy: 0.363
local terms energy: -105.826705
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -556.890411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.890411 (E_RNA)
where:
Base-Base interactions energy: -378.716
where: short stacking energy: -170.134
Base-Backbone interact. energy: -0.107
local terms energy: -178.068103
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -37.663
flat angles C4'-P-C4' energy: -35.080
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -50.667
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: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -531.404105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.404105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.404105 (E_RNA)
where:
Base-Base interactions energy: -363.726
where: short stacking energy: -160.683
Base-Backbone interact. energy: -0.691
local terms energy: -166.987033
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -47.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -537.354039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.354039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.354039 (E_RNA)
where:
Base-Base interactions energy: -372.498
where: short stacking energy: -151.804
Base-Backbone interact. energy: -0.109
local terms energy: -164.747090
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -446.011427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.011427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.011427 (E_RNA)
where:
Base-Base interactions energy: -292.185
where: short stacking energy: -127.044
Base-Backbone interact. energy: -0.789
local terms energy: -153.037397
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -41.469
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: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -438.612855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.612855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.612855 (E_RNA)
where:
Base-Base interactions energy: -303.430
where: short stacking energy: -135.129
Base-Backbone interact. energy: -0.588
local terms energy: -134.594905
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -36.081
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -423.720308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.720308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.720308 (E_RNA)
where:
Base-Base interactions energy: -271.342
where: short stacking energy: -124.976
Base-Backbone interact. energy: -1.844
local terms energy: -150.533568
where:
bonds (distance) C4'-P energy: -32.675
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -40.566
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: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -285.018614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.018614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.018614 (E_RNA)
where:
Base-Base interactions energy: -155.993
where: short stacking energy: -67.777
Base-Backbone interact. energy: -0.355
local terms energy: -128.671302
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -35.049
flat angles C4'-P-C4' energy: -31.704
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -232.856587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.856587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.856587 (E_RNA)
where:
Base-Base interactions energy: -108.712
where: short stacking energy: -76.720
Base-Backbone interact. energy: -2.653
local terms energy: -121.491529
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -233.976560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.976560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.976560 (E_RNA)
where:
Base-Base interactions energy: -127.543
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.707
local terms energy: -105.727247
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -7.263
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: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -141.981464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.981464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.981464 (E_RNA)
where:
Base-Base interactions energy: -41.207
where: short stacking energy: -40.556
Base-Backbone interact. energy: 3.471
local terms energy: -104.245070
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: 7.386
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: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -560.334093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.334093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.334093 (E_RNA)
where:
Base-Base interactions energy: -380.562
where: short stacking energy: -158.389
Base-Backbone interact. energy: -1.130
local terms energy: -178.641977
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -51.813
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -532.921300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.921300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.921300 (E_RNA)
where:
Base-Base interactions energy: -362.495
where: short stacking energy: -161.912
Base-Backbone interact. energy: -0.124
local terms energy: -170.302475
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -48.755
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: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -517.426172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.426172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.426172 (E_RNA)
where:
Base-Base interactions energy: -348.062
where: short stacking energy: -150.572
Base-Backbone interact. energy: 0.816
local terms energy: -170.180207
where:
bonds (distance) C4'-P energy: -32.415
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -43.623
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: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -428.192618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.192618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.192618 (E_RNA)
where:
Base-Base interactions energy: -274.564
where: short stacking energy: -126.620
Base-Backbone interact. energy: 0.606
local terms energy: -154.234773
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -36.588
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: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -443.697104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.697104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.697104 (E_RNA)
where:
Base-Base interactions energy: -290.610
where: short stacking energy: -132.830
Base-Backbone interact. energy: -0.459
local terms energy: -152.628438
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -41.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -417.381395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.381395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.381395 (E_RNA)
where:
Base-Base interactions energy: -277.121
where: short stacking energy: -125.445
Base-Backbone interact. energy: -0.645
local terms energy: -139.615910
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -32.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -287.718628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.718628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.718628 (E_RNA)
where:
Base-Base interactions energy: -173.474
where: short stacking energy: -81.248
Base-Backbone interact. energy: 1.916
local terms energy: -116.160507
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -17.635
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: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -237.678691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.678691 (E_RNA)
where:
Base-Base interactions energy: -117.608
where: short stacking energy: -72.419
Base-Backbone interact. energy: 0.541
local terms energy: -120.611385
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -37.370
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -8.886
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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -156.287538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.287538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.287538 (E_RNA)
where:
Base-Base interactions energy: -60.959
where: short stacking energy: -38.301
Base-Backbone interact. energy: 1.286
local terms energy: -96.614003
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -27.902
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: 3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -159.487474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.487474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.487474 (E_RNA)
where:
Base-Base interactions energy: -59.234
where: short stacking energy: -45.080
Base-Backbone interact. energy: -1.501
local terms energy: -98.752220
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -565.090565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.090565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.090565 (E_RNA)
where:
Base-Base interactions energy: -376.844
where: short stacking energy: -161.518
Base-Backbone interact. energy: -0.210
local terms energy: -188.036405
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -28.655
tors. eta vs tors. theta energy: -50.609
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: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -533.301109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.301109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.301109 (E_RNA)
where:
Base-Base interactions energy: -363.331
where: short stacking energy: -154.701
Base-Backbone interact. energy: -0.125
local terms energy: -169.844800
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -50.105
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: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -518.329941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.329941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.329941 (E_RNA)
where:
Base-Base interactions energy: -354.320
where: short stacking energy: -141.096
Base-Backbone interact. energy: -1.374
local terms energy: -162.636105
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -43.101
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: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -461.182853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.182853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.182853 (E_RNA)
where:
Base-Base interactions energy: -309.468
where: short stacking energy: -127.053
Base-Backbone interact. energy: 1.617
local terms energy: -153.331761
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -32.626
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: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -435.438016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.438016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.438016 (E_RNA)
where:
Base-Base interactions energy: -274.477
where: short stacking energy: -123.786
Base-Backbone interact. energy: -0.955
local terms energy: -160.005862
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -33.346
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -38.826
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: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -438.131536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.131536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.131536 (E_RNA)
where:
Base-Base interactions energy: -302.532
where: short stacking energy: -141.750
Base-Backbone interact. energy: -0.481
local terms energy: -135.118541
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -27.019
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -39.808
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: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -297.441528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.441528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.441528 (E_RNA)
where:
Base-Base interactions energy: -165.256
where: short stacking energy: -86.554
Base-Backbone interact. energy: -0.869
local terms energy: -131.315712
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -229.532910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.532910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.532910 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -67.782
Base-Backbone interact. energy: -1.058
local terms energy: -104.747078
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -10.405
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -161.328878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.328878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.328878 (E_RNA)
where:
Base-Base interactions energy: -56.867
where: short stacking energy: -46.246
Base-Backbone interact. energy: 4.273
local terms energy: -108.735244
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -21.039
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: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -134.038858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.038858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.038858 (E_RNA)
where:
Base-Base interactions energy: -45.143
where: short stacking energy: -35.976
Base-Backbone interact. energy: -0.526
local terms energy: -88.370468
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -2.967
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: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -550.310942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.310942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.310942 (E_RNA)
where:
Base-Base interactions energy: -370.855
where: short stacking energy: -164.772
Base-Backbone interact. energy: -0.779
local terms energy: -178.676765
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -36.304
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -52.426
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: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -529.960445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.960445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.960445 (E_RNA)
where:
Base-Base interactions energy: -357.470
where: short stacking energy: -144.099
Base-Backbone interact. energy: -0.221
local terms energy: -172.269212
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -520.173707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.173707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.173707 (E_RNA)
where:
Base-Base interactions energy: -351.187
where: short stacking energy: -154.875
Base-Backbone interact. energy: -0.897
local terms energy: -168.090112
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -47.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -440.844943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.844943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.844943 (E_RNA)
where:
Base-Base interactions energy: -283.797
where: short stacking energy: -132.205
Base-Backbone interact. energy: -0.818
local terms energy: -156.229754
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -30.497
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -34.568
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: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -442.066554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.066554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.066554 (E_RNA)
where:
Base-Base interactions energy: -290.111
where: short stacking energy: -125.013
Base-Backbone interact. energy: -0.349
local terms energy: -151.606516
where:
bonds (distance) C4'-P energy: -36.338
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -31.828
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: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -433.304566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.304566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.304566 (E_RNA)
where:
Base-Base interactions energy: -296.795
where: short stacking energy: -124.168
Base-Backbone interact. energy: 0.946
local terms energy: -137.456045
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -33.625
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: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -253.781328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.781328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.781328 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -78.130
Base-Backbone interact. energy: -2.746
local terms energy: -107.339934
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -11.255
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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -236.667774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.667774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.667774 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -72.919
Base-Backbone interact. energy: 1.728
local terms energy: -118.324067
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -18.387
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: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -147.932368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.932368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.932368 (E_RNA)
where:
Base-Base interactions energy: -49.071
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.653
local terms energy: -98.208440
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: 0.103
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: 71
Temperature: 1.350000
Total energy: -143.788246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.788246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.788246 (E_RNA)
where:
Base-Base interactions energy: -66.313
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.853
local terms energy: -76.622115
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: 10.876
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: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -551.998235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.998235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.998235 (E_RNA)
where:
Base-Base interactions energy: -380.750
where: short stacking energy: -164.265
Base-Backbone interact. energy: -0.212
local terms energy: -171.035846
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -50.040
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: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -542.454430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.454430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.454430 (E_RNA)
where:
Base-Base interactions energy: -359.761
where: short stacking energy: -155.657
Base-Backbone interact. energy: 0.213
local terms energy: -182.906809
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -31.786
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -48.913
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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -522.410799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.410799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.410799 (E_RNA)
where:
Base-Base interactions energy: -360.079
where: short stacking energy: -146.884
Base-Backbone interact. energy: -0.085
local terms energy: -162.247399
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -35.639
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -446.668541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.668541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.668541 (E_RNA)
where:
Base-Base interactions energy: -283.454
where: short stacking energy: -142.252
Base-Backbone interact. energy: -0.283
local terms energy: -162.931589
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -44.364
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: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -424.865875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.865875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.865875 (E_RNA)
where:
Base-Base interactions energy: -282.698
where: short stacking energy: -122.251
Base-Backbone interact. energy: -0.429
local terms energy: -141.738698
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -35.454
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: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -429.154454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.154454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.154454 (E_RNA)
where:
Base-Base interactions energy: -280.772
where: short stacking energy: -123.386
Base-Backbone interact. energy: 1.993
local terms energy: -150.375856
where:
bonds (distance) C4'-P energy: -32.613
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -29.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -275.314592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.314592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.314592 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.471
local terms energy: -140.297832
where:
bonds (distance) C4'-P energy: -33.664
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -33.733
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -212.361275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.361275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.361275 (E_RNA)
where:
Base-Base interactions energy: -101.298
where: short stacking energy: -68.129
Base-Backbone interact. energy: 0.751
local terms energy: -111.814064
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -11.095
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -184.251004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.251004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.251004 (E_RNA)
where:
Base-Base interactions energy: -81.181
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.341
local terms energy: -102.729215
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -5.169
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: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -149.444764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.444764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.444764 (E_RNA)
where:
Base-Base interactions energy: -49.538
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.967
local terms energy: -98.939651
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -546.282050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.282050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.282050 (E_RNA)
where:
Base-Base interactions energy: -364.082
where: short stacking energy: -158.021
Base-Backbone interact. energy: -0.709
local terms energy: -181.490819
where:
bonds (distance) C4'-P energy: -34.937
bonds (distance) P-C4' energy: -31.897
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -29.097
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: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -531.870999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.870999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.870999 (E_RNA)
where:
Base-Base interactions energy: -375.008
where: short stacking energy: -153.573
Base-Backbone interact. energy: -1.996
local terms energy: -154.866711
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -49.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -525.567420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.567420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.567420 (E_RNA)
where:
Base-Base interactions energy: -352.946
where: short stacking energy: -141.635
Base-Backbone interact. energy: -0.432
local terms energy: -172.189223
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -35.690
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -45.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -440.986073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.986073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.986073 (E_RNA)
where:
Base-Base interactions energy: -283.192
where: short stacking energy: -136.867
Base-Backbone interact. energy: -0.036
local terms energy: -157.758340
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -41.115
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: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -415.371840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.371840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.371840 (E_RNA)
where:
Base-Base interactions energy: -259.132
where: short stacking energy: -117.937
Base-Backbone interact. energy: -0.475
local terms energy: -155.764778
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -36.726
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -35.014
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -454.959586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.959586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.959586 (E_RNA)
where:
Base-Base interactions energy: -302.986
where: short stacking energy: -129.090
Base-Backbone interact. energy: -0.513
local terms energy: -151.460932
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -34.153
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -41.635
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: 73
Temperature: 1.200000
Total energy: -279.434145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.434145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.434145 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -75.918
Base-Backbone interact. energy: 1.794
local terms energy: -126.200172
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -16.093
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: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -215.202128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.202128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.202128 (E_RNA)
where:
Base-Base interactions energy: -101.164
where: short stacking energy: -59.969
Base-Backbone interact. energy: -0.396
local terms energy: -113.642119
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -5.544
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: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -149.097330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.097330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.097330 (E_RNA)
where:
Base-Base interactions energy: -58.519
where: short stacking energy: -55.263
Base-Backbone interact. energy: 0.436
local terms energy: -91.014464
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -30.604
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -4.891
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: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -153.110478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.110478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.110478 (E_RNA)
where:
Base-Base interactions energy: -54.796
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.909
local terms energy: -97.405975
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: 1.095
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: 74
Temperature: 0.900000
Total energy: -556.953556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.953556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.953556 (E_RNA)
where:
Base-Base interactions energy: -379.769
where: short stacking energy: -156.838
Base-Backbone interact. energy: -1.563
local terms energy: -175.621269
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -42.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -544.113380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.113380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.113380 (E_RNA)
where:
Base-Base interactions energy: -367.074
where: short stacking energy: -162.901
Base-Backbone interact. energy: 0.271
local terms energy: -177.310622
where:
bonds (distance) C4'-P energy: -32.278
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -528.794467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.794467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.794467 (E_RNA)
where:
Base-Base interactions energy: -359.899
where: short stacking energy: -155.775
Base-Backbone interact. energy: -0.822
local terms energy: -168.072983
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -45.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -442.601308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.601308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.601308 (E_RNA)
where:
Base-Base interactions energy: -288.812
where: short stacking energy: -142.944
Base-Backbone interact. energy: 1.054
local terms energy: -154.843725
where:
bonds (distance) C4'-P energy: -31.604
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -40.190
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: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -440.501752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.501752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.501752 (E_RNA)
where:
Base-Base interactions energy: -296.959
where: short stacking energy: -137.253
Base-Backbone interact. energy: -0.421
local terms energy: -143.121979
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -42.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -428.927478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.927478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.927478 (E_RNA)
where:
Base-Base interactions energy: -282.787
where: short stacking energy: -121.004
Base-Backbone interact. energy: -0.604
local terms energy: -145.536358
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -32.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -258.312087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.312087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.312087 (E_RNA)
where:
Base-Base interactions energy: -137.343
where: short stacking energy: -70.631
Base-Backbone interact. energy: -1.290
local terms energy: -119.678887
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -19.999
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: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -220.961928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.961928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.961928 (E_RNA)
where:
Base-Base interactions energy: -107.975
where: short stacking energy: -70.026
Base-Backbone interact. energy: -1.465
local terms energy: -111.521941
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -12.631
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: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -158.184671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.184671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.184671 (E_RNA)
where:
Base-Base interactions energy: -56.856
where: short stacking energy: -41.006
Base-Backbone interact. energy: -0.521
local terms energy: -100.807928
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -3.923
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: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -152.713298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.713298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.713298 (E_RNA)
where:
Base-Base interactions energy: -71.210
where: short stacking energy: -39.651
Base-Backbone interact. energy: -0.326
local terms energy: -81.177863
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: 3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -559.670065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.670065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.670065 (E_RNA)
where:
Base-Base interactions energy: -387.429
where: short stacking energy: -162.784
Base-Backbone interact. energy: -0.088
local terms energy: -172.152532
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -27.062
tors. eta vs tors. theta energy: -45.892
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: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -522.363269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.363269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.363269 (E_RNA)
where:
Base-Base interactions energy: -363.445
where: short stacking energy: -149.262
Base-Backbone interact. energy: -1.244
local terms energy: -157.673488
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -42.488
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: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -524.523874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.523874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.523874 (E_RNA)
where:
Base-Base interactions energy: -353.199
where: short stacking energy: -165.914
Base-Backbone interact. energy: -1.213
local terms energy: -170.112408
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -36.397
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -45.762
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: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -452.236623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.236623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.236623 (E_RNA)
where:
Base-Base interactions energy: -293.177
where: short stacking energy: -132.855
Base-Backbone interact. energy: 2.650
local terms energy: -161.709456
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -37.360
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -430.261546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.261546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.261546 (E_RNA)
where:
Base-Base interactions energy: -274.436
where: short stacking energy: -129.184
Base-Backbone interact. energy: 1.422
local terms energy: -157.247525
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -31.994
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -34.021
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: 75
Temperature: 1.150000
Total energy: -419.956469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.956469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.956469 (E_RNA)
where:
Base-Base interactions energy: -275.474
where: short stacking energy: -119.752
Base-Backbone interact. energy: 0.903
local terms energy: -145.386185
where:
bonds (distance) C4'-P energy: -29.723
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -38.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -229.843282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.843282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.843282 (E_RNA)
where:
Base-Base interactions energy: -120.266
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.128
local terms energy: -109.449292
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -19.664
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: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -203.707668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.707668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.707668 (E_RNA)
where:
Base-Base interactions energy: -104.358
where: short stacking energy: -52.485
Base-Backbone interact. energy: -0.820
local terms energy: -98.529943
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -148.598188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.598188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.598188 (E_RNA)
where:
Base-Base interactions energy: -52.800
where: short stacking energy: -42.099
Base-Backbone interact. energy: 2.084
local terms energy: -97.882411
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: 3.920
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: 75
Temperature: 1.350000
Total energy: -136.284278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.284278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.284278 (E_RNA)
where:
Base-Base interactions energy: -63.652
where: short stacking energy: -49.898
Base-Backbone interact. energy: 0.888
local terms energy: -73.520368
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -10.586
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: 76
Temperature: 0.900000
Total energy: -573.293995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.293995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.293995 (E_RNA)
where:
Base-Base interactions energy: -394.719
where: short stacking energy: -168.063
Base-Backbone interact. energy: -0.306
local terms energy: -178.268914
where:
bonds (distance) C4'-P energy: -33.218
bonds (distance) P-C4' energy: -38.719
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -46.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -545.865005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.865005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.865005 (E_RNA)
where:
Base-Base interactions energy: -372.610
where: short stacking energy: -167.113
Base-Backbone interact. energy: -0.103
local terms energy: -173.152255
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -52.172
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: 76
Temperature: 1.000000
Total energy: -531.913725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.913725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.913725 (E_RNA)
where:
Base-Base interactions energy: -367.578
where: short stacking energy: -151.576
Base-Backbone interact. energy: -0.267
local terms energy: -164.069083
where:
bonds (distance) C4'-P energy: -33.836
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -45.017
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: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -472.378215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.378215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.378215 (E_RNA)
where:
Base-Base interactions energy: -314.961
where: short stacking energy: -147.623
Base-Backbone interact. energy: -0.747
local terms energy: -156.670339
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -34.639
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -45.930
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: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -432.798724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.798724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.798724 (E_RNA)
where:
Base-Base interactions energy: -287.347
where: short stacking energy: -133.440
Base-Backbone interact. energy: -0.746
local terms energy: -144.705240
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -35.533
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: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -423.133684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.133684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.133684 (E_RNA)
where:
Base-Base interactions energy: -287.790
where: short stacking energy: -131.584
Base-Backbone interact. energy: -0.529
local terms energy: -134.815212
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -34.934
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -35.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -221.813418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.813418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.813418 (E_RNA)
where:
Base-Base interactions energy: -100.262
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.627
local terms energy: -120.924510
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -34.284
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -216.963797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963797 (E_RNA)
where:
Base-Base interactions energy: -104.301
where: short stacking energy: -64.488
Base-Backbone interact. energy: -0.157
local terms energy: -112.505987
where:
bonds (distance) C4'-P energy: -27.460
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -9.237
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: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -160.143210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.143210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.143210 (E_RNA)
where:
Base-Base interactions energy: -61.392
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.236
local terms energy: -98.515016
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: 7.136
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: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -140.166163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.166163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.166163 (E_RNA)
where:
Base-Base interactions energy: -54.300
where: short stacking energy: -40.612
Base-Backbone interact. energy: -1.725
local terms energy: -84.141684
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: 1.590
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: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -562.550888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.550888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.550888 (E_RNA)
where:
Base-Base interactions energy: -386.738
where: short stacking energy: -155.837
Base-Backbone interact. energy: -0.090
local terms energy: -175.723733
where:
bonds (distance) C4'-P energy: -35.938
bonds (distance) P-C4' energy: -31.559
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -49.627
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: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -535.025226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.025226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.025226 (E_RNA)
where:
Base-Base interactions energy: -358.946
where: short stacking energy: -154.110
Base-Backbone interact. energy: -0.068
local terms energy: -176.011539
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -46.425
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: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -528.030195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.030195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.030195 (E_RNA)
where:
Base-Base interactions energy: -348.490
where: short stacking energy: -145.062
Base-Backbone interact. energy: -0.056
local terms energy: -179.484529
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -36.583
flat angles P-C4'-P energy: -23.284
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: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -467.539369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.539369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.539369 (E_RNA)
where:
Base-Base interactions energy: -308.188
where: short stacking energy: -139.209
Base-Backbone interact. energy: -0.864
local terms energy: -158.486858
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -43.575
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: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -433.179387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.179387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.179387 (E_RNA)
where:
Base-Base interactions energy: -282.482
where: short stacking energy: -119.846
Base-Backbone interact. energy: -0.494
local terms energy: -150.203442
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -30.181
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -34.287
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: 77
Temperature: 1.150000
Total energy: -422.243404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.243404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.243404 (E_RNA)
where:
Base-Base interactions energy: -273.860
where: short stacking energy: -129.706
Base-Backbone interact. energy: -0.831
local terms energy: -147.552825
where:
bonds (distance) C4'-P energy: -25.652
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -38.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -234.616543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.616543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.616543 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -81.097
Base-Backbone interact. energy: -0.122
local terms energy: -121.328306
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -14.261
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: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -164.388487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.388487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.388487 (E_RNA)
where:
Base-Base interactions energy: -61.417
where: short stacking energy: -50.536
Base-Backbone interact. energy: -1.180
local terms energy: -101.791384
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -7.504
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: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -216.417463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.417463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.417463 (E_RNA)
where:
Base-Base interactions energy: -120.993
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.432
local terms energy: -94.992713
where:
bonds (distance) C4'-P energy: -27.890
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: 0.914
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: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -148.681171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.681171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.681171 (E_RNA)
where:
Base-Base interactions energy: -59.357
where: short stacking energy: -58.862
Base-Backbone interact. energy: -0.849
local terms energy: -88.474685
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -13.843
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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -545.039419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.039419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.039419 (E_RNA)
where:
Base-Base interactions energy: -370.921
where: short stacking energy: -152.996
Base-Backbone interact. energy: -1.033
local terms energy: -173.084954
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -45.033
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: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -544.404957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.404957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.404957 (E_RNA)
where:
Base-Base interactions energy: -372.134
where: short stacking energy: -161.280
Base-Backbone interact. energy: 0.413
local terms energy: -172.684632
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -35.964
flat angles P-C4'-P energy: -21.773
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: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -528.061872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.061872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.061872 (E_RNA)
where:
Base-Base interactions energy: -353.278
where: short stacking energy: -145.009
Base-Backbone interact. energy: 0.117
local terms energy: -174.900581
where:
bonds (distance) C4'-P energy: -37.167
bonds (distance) P-C4' energy: -37.202
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -47.868
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: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -443.986439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.986439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.986439 (E_RNA)
where:
Base-Base interactions energy: -287.103
where: short stacking energy: -129.704
Base-Backbone interact. energy: -0.846
local terms energy: -156.037153
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -35.986
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: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -437.052197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.052197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.052197 (E_RNA)
where:
Base-Base interactions energy: -300.146
where: short stacking energy: -127.879
Base-Backbone interact. energy: 5.296
local terms energy: -142.202603
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -29.828
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -442.249944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.249944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.249944 (E_RNA)
where:
Base-Base interactions energy: -284.321
where: short stacking energy: -132.613
Base-Backbone interact. energy: -0.203
local terms energy: -157.726326
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -37.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -223.424312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.424312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.424312 (E_RNA)
where:
Base-Base interactions energy: -98.899
where: short stacking energy: -57.891
Base-Backbone interact. energy: 0.104
local terms energy: -124.629329
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -29.511
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -12.489
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: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -161.973053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.973053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.973053 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -50.190
Base-Backbone interact. energy: 0.820
local terms energy: -109.660157
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -30.880
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -12.591
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: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -162.853146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.853146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.853146 (E_RNA)
where:
Base-Base interactions energy: -73.349
where: short stacking energy: -46.564
Base-Backbone interact. energy: 0.277
local terms energy: -89.781917
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -1.341
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: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -154.364514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.364514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.364514 (E_RNA)
where:
Base-Base interactions energy: -78.811
where: short stacking energy: -41.174
Base-Backbone interact. energy: 2.281
local terms energy: -77.834122
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -0.330
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: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -565.639762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.639762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.639762 (E_RNA)
where:
Base-Base interactions energy: -396.213
where: short stacking energy: -159.080
Base-Backbone interact. energy: -0.490
local terms energy: -168.936981
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -43.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -540.214592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.214592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.214592 (E_RNA)
where:
Base-Base interactions energy: -352.343
where: short stacking energy: -146.958
Base-Backbone interact. energy: -0.280
local terms energy: -187.591508
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -36.897
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -30.889
tors. eta vs tors. theta energy: -50.391
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: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -540.774787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.774787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.774787 (E_RNA)
where:
Base-Base interactions energy: -359.352
where: short stacking energy: -159.943
Base-Backbone interact. energy: -0.191
local terms energy: -181.231693
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -35.571
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -27.808
tors. eta vs tors. theta energy: -53.289
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: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -445.020664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.020664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.020664 (E_RNA)
where:
Base-Base interactions energy: -305.881
where: short stacking energy: -130.748
Base-Backbone interact. energy: -0.663
local terms energy: -138.476492
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -34.654
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: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -449.545474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.545474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.545474 (E_RNA)
where:
Base-Base interactions energy: -280.620
where: short stacking energy: -126.210
Base-Backbone interact. energy: -0.162
local terms energy: -168.763905
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -39.490
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: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -407.799320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.799320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.799320 (E_RNA)
where:
Base-Base interactions energy: -256.414
where: short stacking energy: -110.635
Base-Backbone interact. energy: -0.154
local terms energy: -151.231633
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -37.302
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: 79
Temperature: 1.200000
Total energy: -252.394531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.394531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.394531 (E_RNA)
where:
Base-Base interactions energy: -140.140
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.316
local terms energy: -111.938287
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -13.274
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: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -180.724273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.724273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.724273 (E_RNA)
where:
Base-Base interactions energy: -88.515
where: short stacking energy: -67.661
Base-Backbone interact. energy: -1.035
local terms energy: -91.174204
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -7.481
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -173.072056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.072056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.072056 (E_RNA)
where:
Base-Base interactions energy: -67.874
where: short stacking energy: -48.879
Base-Backbone interact. energy: 1.139
local terms energy: -106.337272
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -23.937
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: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -169.775047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.775047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.775047 (E_RNA)
where:
Base-Base interactions energy: -61.893
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.512
local terms energy: -107.369669
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: 2.194
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: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -571.634032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.634032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.634032 (E_RNA)
where:
Base-Base interactions energy: -397.284
where: short stacking energy: -161.465
Base-Backbone interact. energy: -0.943
local terms energy: -173.406680
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -33.425
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -43.752
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: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -540.672585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.672585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.672585 (E_RNA)
where:
Base-Base interactions energy: -369.351
where: short stacking energy: -142.851
Base-Backbone interact. energy: -0.540
local terms energy: -170.781204
where:
bonds (distance) C4'-P energy: -31.544
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -48.041
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: 80
Temperature: 1.000000
Total energy: -469.009534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.009534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.009534 (E_RNA)
where:
Base-Base interactions energy: -317.575
where: short stacking energy: -139.084
Base-Backbone interact. energy: -0.778
local terms energy: -150.656262
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -33.382
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -38.626
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -523.877238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.877238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.877238 (E_RNA)
where:
Base-Base interactions energy: -352.479
where: short stacking energy: -143.521
Base-Backbone interact. energy: 1.646
local terms energy: -173.043539
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -34.776
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -50.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -445.099417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.099417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.099417 (E_RNA)
where:
Base-Base interactions energy: -293.271
where: short stacking energy: -135.050
Base-Backbone interact. energy: 0.047
local terms energy: -151.875855
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -43.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -393.185763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.185763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.185763 (E_RNA)
where:
Base-Base interactions energy: -246.439
where: short stacking energy: -111.762
Base-Backbone interact. energy: -0.452
local terms energy: -146.294965
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -31.334
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: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -286.884327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.884327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.884327 (E_RNA)
where:
Base-Base interactions energy: -171.462
where: short stacking energy: -87.935
Base-Backbone interact. energy: -0.947
local terms energy: -114.475215
where:
bonds (distance) C4'-P energy: -34.596
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -15.865
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -183.345952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.345952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.345952 (E_RNA)
where:
Base-Base interactions energy: -80.202
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.718
local terms energy: -102.426115
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -5.846
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: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -145.530317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.530317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.530317 (E_RNA)
where:
Base-Base interactions energy: -45.157
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.995
local terms energy: -99.378070
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: 6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -151.844750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.844750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.844750 (E_RNA)
where:
Base-Base interactions energy: -74.130
where: short stacking energy: -38.789
Base-Backbone interact. energy: -0.210
local terms energy: -77.505085
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: 5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -564.902817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.902817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.902817 (E_RNA)
where:
Base-Base interactions energy: -393.332
where: short stacking energy: -152.462
Base-Backbone interact. energy: -0.748
local terms energy: -170.823256
where:
bonds (distance) C4'-P energy: -33.805
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -43.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -536.149113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.149113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.149113 (E_RNA)
where:
Base-Base interactions energy: -361.491
where: short stacking energy: -153.286
Base-Backbone interact. energy: -1.527
local terms energy: -173.132036
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -472.205724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.205724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.205724 (E_RNA)
where:
Base-Base interactions energy: -314.351
where: short stacking energy: -125.047
Base-Backbone interact. energy: -0.506
local terms energy: -157.347999
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -35.411
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: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -558.101787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.101787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.101787 (E_RNA)
where:
Base-Base interactions energy: -380.621
where: short stacking energy: -168.640
Base-Backbone interact. energy: -0.325
local terms energy: -177.155182
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -36.219
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -53.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -474.343681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.343681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.343681 (E_RNA)
where:
Base-Base interactions energy: -310.098
where: short stacking energy: -138.831
Base-Backbone interact. energy: -0.184
local terms energy: -164.061930
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -31.439
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -46.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -399.865466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.865466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.865466 (E_RNA)
where:
Base-Base interactions energy: -255.160
where: short stacking energy: -120.114
Base-Backbone interact. energy: -0.728
local terms energy: -143.977411
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -32.491
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: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -278.288320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.288320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.288320 (E_RNA)
where:
Base-Base interactions energy: -164.020
where: short stacking energy: -82.505
Base-Backbone interact. energy: -0.768
local terms energy: -113.499722
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -170.923526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.923526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.923526 (E_RNA)
where:
Base-Base interactions energy: -72.999
where: short stacking energy: -45.822
Base-Backbone interact. energy: -1.548
local terms energy: -96.376949
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: 2.244
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -148.809307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.809307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.809307 (E_RNA)
where:
Base-Base interactions energy: -62.607
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.200
local terms energy: -86.002478
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -138.593708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.593708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.593708 (E_RNA)
where:
Base-Base interactions energy: -51.834
where: short stacking energy: -30.633
Base-Backbone interact. energy: 1.753
local terms energy: -88.512229
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: 1.849
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: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -556.601774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.601774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.601774 (E_RNA)
where:
Base-Base interactions energy: -388.447
where: short stacking energy: -156.820
Base-Backbone interact. energy: -0.502
local terms energy: -167.653044
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -40.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -533.822042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.822042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.822042 (E_RNA)
where:
Base-Base interactions energy: -362.262
where: short stacking energy: -153.483
Base-Backbone interact. energy: -0.637
local terms energy: -170.922961
where:
bonds (distance) C4'-P energy: -28.521
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: -46.117
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: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -538.248750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.248750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.248750 (E_RNA)
where:
Base-Base interactions energy: -365.184
where: short stacking energy: -158.474
Base-Backbone interact. energy: -0.198
local terms energy: -172.866465
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -54.993
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -465.166087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.166087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.166087 (E_RNA)
where:
Base-Base interactions energy: -295.095
where: short stacking energy: -137.299
Base-Backbone interact. energy: -0.605
local terms energy: -169.466516
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -38.869
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -42.169
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: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -483.060517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.060517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.060517 (E_RNA)
where:
Base-Base interactions energy: -315.163
where: short stacking energy: -144.804
Base-Backbone interact. energy: -1.335
local terms energy: -166.563378
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -43.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -405.718287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.718287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.718287 (E_RNA)
where:
Base-Base interactions energy: -261.682
where: short stacking energy: -126.998
Base-Backbone interact. energy: 2.848
local terms energy: -146.884591
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -33.562
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: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -287.223304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.223304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.223304 (E_RNA)
where:
Base-Base interactions energy: -171.850
where: short stacking energy: -94.505
Base-Backbone interact. energy: -0.195
local terms energy: -115.178175
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -18.139
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: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -176.747476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.747476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.747476 (E_RNA)
where:
Base-Base interactions energy: -75.180
where: short stacking energy: -42.307
Base-Backbone interact. energy: 0.383
local terms energy: -101.949902
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -172.287949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.287949 (E_RNA)
where:
Base-Base interactions energy: -76.855
where: short stacking energy: -46.646
Base-Backbone interact. energy: -0.513
local terms energy: -94.919526
where:
bonds (distance) C4'-P energy: -30.343
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -136.023466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.023466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.023466 (E_RNA)
where:
Base-Base interactions energy: -50.253
where: short stacking energy: -39.737
Base-Backbone interact. energy: 5.062
local terms energy: -90.832398
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: 4.725
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: 83
Temperature: 0.900000
Total energy: -554.159129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.159129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.159129 (E_RNA)
where:
Base-Base interactions energy: -383.136
where: short stacking energy: -154.538
Base-Backbone interact. energy: -0.376
local terms energy: -170.646964
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -45.634
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: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -540.169275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.169275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.169275 (E_RNA)
where:
Base-Base interactions energy: -377.870
where: short stacking energy: -154.443
Base-Backbone interact. energy: -0.395
local terms energy: -161.904137
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -48.881
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: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -525.107264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.107264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.107264 (E_RNA)
where:
Base-Base interactions energy: -358.822
where: short stacking energy: -150.532
Base-Backbone interact. energy: -0.640
local terms energy: -165.645432
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -48.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -479.607599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.607599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.607599 (E_RNA)
where:
Base-Base interactions energy: -318.203
where: short stacking energy: -135.329
Base-Backbone interact. energy: -0.612
local terms energy: -160.792526
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -47.092
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: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -441.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.081853 (E_RNA)
where:
Base-Base interactions energy: -300.525
where: short stacking energy: -134.667
Base-Backbone interact. energy: -1.035
local terms energy: -139.521480
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -30.801
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -33.957
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: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -422.191985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.191985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.191985 (E_RNA)
where:
Base-Base interactions energy: -267.121
where: short stacking energy: -122.933
Base-Backbone interact. energy: -1.020
local terms energy: -154.050970
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -34.686
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: 7, replica: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -302.421773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.421773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.421773 (E_RNA)
where:
Base-Base interactions energy: -174.019
where: short stacking energy: -96.559
Base-Backbone interact. energy: 0.932
local terms energy: -129.334747
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -21.947
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: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -161.568456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.568456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568456 (E_RNA)
where:
Base-Base interactions energy: -53.110
where: short stacking energy: -48.863
Base-Backbone interact. energy: -0.926
local terms energy: -107.532115
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -12.356
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: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -146.246183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.246183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.246183 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -42.504
Base-Backbone interact. energy: 0.522
local terms energy: -103.381693
where:
bonds (distance) C4'-P energy: -28.977
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: 7.777
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: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -144.546698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.546698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.546698 (E_RNA)
where:
Base-Base interactions energy: -56.592
where: short stacking energy: -46.958
Base-Backbone interact. energy: 1.161
local terms energy: -89.115473
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: 1.597
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: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -543.926367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.926367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.926367 (E_RNA)
where:
Base-Base interactions energy: -372.581
where: short stacking energy: -151.906
Base-Backbone interact. energy: -0.537
local terms energy: -170.808328
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -46.829
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: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -555.515052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.515052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.515052 (E_RNA)
where:
Base-Base interactions energy: -389.370
where: short stacking energy: -164.014
Base-Backbone interact. energy: 0.117
local terms energy: -166.262883
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -53.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -469.380596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.380596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.380596 (E_RNA)
where:
Base-Base interactions energy: -309.892
where: short stacking energy: -126.235
Base-Backbone interact. energy: -0.331
local terms energy: -159.156731
where:
bonds (distance) C4'-P energy: -34.535
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -41.009
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: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -508.806866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.806866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.806866 (E_RNA)
where:
Base-Base interactions energy: -358.448
where: short stacking energy: -136.845
Base-Backbone interact. energy: -0.111
local terms energy: -150.247503
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -45.117
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: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -444.869388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.869388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.869388 (E_RNA)
where:
Base-Base interactions energy: -285.798
where: short stacking energy: -143.890
Base-Backbone interact. energy: -0.096
local terms energy: -158.975378
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -45.251
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: 84
Temperature: 1.150000
Total energy: -410.670327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.670327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.670327 (E_RNA)
where:
Base-Base interactions energy: -260.764
where: short stacking energy: -106.505
Base-Backbone interact. energy: -2.023
local terms energy: -147.883732
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -37.023
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -32.470
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: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -289.814038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.814038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.814038 (E_RNA)
where:
Base-Base interactions energy: -162.295
where: short stacking energy: -81.049
Base-Backbone interact. energy: -1.287
local terms energy: -126.232036
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -17.197
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: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -181.856374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.856374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.856374 (E_RNA)
where:
Base-Base interactions energy: -73.288
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.264
local terms energy: -108.303973
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -14.364
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: 84
Temperature: 1.300000
Total energy: -153.460446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.460446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.460446 (E_RNA)
where:
Base-Base interactions energy: -52.843
where: short stacking energy: -39.285
Base-Backbone interact. energy: -0.286
local terms energy: -100.331491
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -1.329
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: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -145.565333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.565333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.565333 (E_RNA)
where:
Base-Base interactions energy: -53.542
where: short stacking energy: -47.375
Base-Backbone interact. energy: 0.342
local terms energy: -92.365137
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: 0.215
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: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -553.558708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.558708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.558708 (E_RNA)
where:
Base-Base interactions energy: -367.160
where: short stacking energy: -171.445
Base-Backbone interact. energy: -0.309
local terms energy: -186.089425
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -31.727
flat angles C4'-P-C4' energy: -40.008
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -51.987
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: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -548.482823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.482823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.482823 (E_RNA)
where:
Base-Base interactions energy: -384.236
where: short stacking energy: -162.695
Base-Backbone interact. energy: -0.622
local terms energy: -163.625509
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -50.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -483.218106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.218106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.218106 (E_RNA)
where:
Base-Base interactions energy: -320.845
where: short stacking energy: -139.916
Base-Backbone interact. energy: -0.130
local terms energy: -162.242983
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -47.073
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: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -428.992501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.992501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.992501 (E_RNA)
where:
Base-Base interactions energy: -271.416
where: short stacking energy: -128.142
Base-Backbone interact. energy: -1.453
local terms energy: -156.122898
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -38.057
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: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -505.843704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.843704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.843704 (E_RNA)
where:
Base-Base interactions energy: -345.221
where: short stacking energy: -141.334
Base-Backbone interact. energy: -1.026
local terms energy: -159.596790
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -422.415350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.415350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.415350 (E_RNA)
where:
Base-Base interactions energy: -285.545
where: short stacking energy: -122.283
Base-Backbone interact. energy: -0.558
local terms energy: -136.311470
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -34.356
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: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -312.376770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.376770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.376770 (E_RNA)
where:
Base-Base interactions energy: -201.603
where: short stacking energy: -89.930
Base-Backbone interact. energy: -0.681
local terms energy: -110.092312
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -17.875
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -174.452161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.452161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.452161 (E_RNA)
where:
Base-Base interactions energy: -65.805
where: short stacking energy: -51.390
Base-Backbone interact. energy: 2.154
local terms energy: -110.800763
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -29.416
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -3.294
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: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -164.441204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.441204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.441204 (E_RNA)
where:
Base-Base interactions energy: -65.334
where: short stacking energy: -50.010
Base-Backbone interact. energy: -1.102
local terms energy: -98.005112
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -1.663
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: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -139.793507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.793507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.793507 (E_RNA)
where:
Base-Base interactions energy: -48.721
where: short stacking energy: -30.134
Base-Backbone interact. energy: -1.306
local terms energy: -89.766007
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: 8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -565.417658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.417658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.417658 (E_RNA)
where:
Base-Base interactions energy: -384.038
where: short stacking energy: -163.373
Base-Backbone interact. energy: -1.079
local terms energy: -180.300583
where:
bonds (distance) C4'-P energy: -26.613
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -51.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -544.512736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.512736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.512736 (E_RNA)
where:
Base-Base interactions energy: -366.843
where: short stacking energy: -158.498
Base-Backbone interact. energy: -0.082
local terms energy: -177.588097
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -39.205
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -478.329104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.329104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.329104 (E_RNA)
where:
Base-Base interactions energy: -320.121
where: short stacking energy: -138.854
Base-Backbone interact. energy: -0.102
local terms energy: -158.105874
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -42.740
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: 86
Temperature: 1.050000
Total energy: -440.368272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.368272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.368272 (E_RNA)
where:
Base-Base interactions energy: -273.035
where: short stacking energy: -134.772
Base-Backbone interact. energy: -0.106
local terms energy: -167.227290
where:
bonds (distance) C4'-P energy: -25.811
bonds (distance) P-C4' energy: -37.551
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -41.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -503.401141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.401141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.401141 (E_RNA)
where:
Base-Base interactions energy: -337.272
where: short stacking energy: -138.251
Base-Backbone interact. energy: -0.812
local terms energy: -165.316811
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -37.487
flat angles P-C4'-P energy: -26.164
tors. eta vs tors. theta energy: -40.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -427.017348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.017348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.017348 (E_RNA)
where:
Base-Base interactions energy: -282.536
where: short stacking energy: -127.269
Base-Backbone interact. energy: -0.691
local terms energy: -143.790194
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -35.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -317.192351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.192351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.192351 (E_RNA)
where:
Base-Base interactions energy: -188.958
where: short stacking energy: -93.164
Base-Backbone interact. energy: -0.304
local terms energy: -127.929801
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -28.217
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: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -150.494469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.494469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.494469 (E_RNA)
where:
Base-Base interactions energy: -39.341
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.715
local terms energy: -110.438247
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: 1.496
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: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -141.423751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.423751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.423751 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -32.531
Base-Backbone interact. energy: -1.780
local terms energy: -96.376324
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -145.141866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.141866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.141866 (E_RNA)
where:
Base-Base interactions energy: -52.844
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.088
local terms energy: -92.209943
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -24.942
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: 7.268
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: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -554.841706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.841706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.841706 (E_RNA)
where:
Base-Base interactions energy: -378.526
where: short stacking energy: -160.845
Base-Backbone interact. energy: -0.301
local terms energy: -176.015208
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -35.355
flat angles P-C4'-P energy: -28.520
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -556.287274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.287274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.287274 (E_RNA)
where:
Base-Base interactions energy: -375.347
where: short stacking energy: -153.972
Base-Backbone interact. energy: 0.363
local terms energy: -181.302780
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -50.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -501.474570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.474570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.474570 (E_RNA)
where:
Base-Base interactions energy: -331.286
where: short stacking energy: -142.667
Base-Backbone interact. energy: -0.079
local terms energy: -170.109019
where:
bonds (distance) C4'-P energy: -37.198
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: -45.320
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: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -504.479775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.479775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.479775 (E_RNA)
where:
Base-Base interactions energy: -337.903
where: short stacking energy: -147.086
Base-Backbone interact. energy: -1.618
local terms energy: -164.958428
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -45.806
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: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -426.696991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.696991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.696991 (E_RNA)
where:
Base-Base interactions energy: -280.918
where: short stacking energy: -130.454
Base-Backbone interact. energy: -0.103
local terms energy: -145.675357
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -39.473
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: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -416.418553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.418553 (E_RNA)
where:
Base-Base interactions energy: -269.239
where: short stacking energy: -125.376
Base-Backbone interact. energy: -0.255
local terms energy: -146.924574
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -29.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -329.365567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.365567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.365567 (E_RNA)
where:
Base-Base interactions energy: -214.629
where: short stacking energy: -97.682
Base-Backbone interact. energy: -0.310
local terms energy: -114.426087
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -28.472
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: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -173.001851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.001851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.001851 (E_RNA)
where:
Base-Base interactions energy: -90.725
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.021
local terms energy: -82.255574
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: 5.099
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: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -159.881213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.881213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.881213 (E_RNA)
where:
Base-Base interactions energy: -58.985
where: short stacking energy: -58.903
Base-Backbone interact. energy: 0.448
local terms energy: -101.344174
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -135.245432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.245432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.245432 (E_RNA)
where:
Base-Base interactions energy: -49.253
where: short stacking energy: -48.625
Base-Backbone interact. energy: 1.260
local terms energy: -87.252198
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: 3.322
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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -551.924315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.924315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.924315 (E_RNA)
where:
Base-Base interactions energy: -379.783
where: short stacking energy: -157.514
Base-Backbone interact. energy: -1.828
local terms energy: -170.313232
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -48.314
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: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -547.524792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.524792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.524792 (E_RNA)
where:
Base-Base interactions energy: -371.894
where: short stacking energy: -162.899
Base-Backbone interact. energy: -0.384
local terms energy: -175.247434
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -34.114
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -48.998
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: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -508.032121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.032121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.032121 (E_RNA)
where:
Base-Base interactions energy: -343.919
where: short stacking energy: -144.675
Base-Backbone interact. energy: -0.583
local terms energy: -163.529534
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -35.964
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -479.194329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.194329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.194329 (E_RNA)
where:
Base-Base interactions energy: -321.548
where: short stacking energy: -147.713
Base-Backbone interact. energy: -0.375
local terms energy: -157.271426
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -45.613
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: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -421.893820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.893820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.893820 (E_RNA)
where:
Base-Base interactions energy: -266.165
where: short stacking energy: -125.667
Base-Backbone interact. energy: -0.209
local terms energy: -155.519360
where:
bonds (distance) C4'-P energy: -40.193
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -362.287513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.287513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.287513 (E_RNA)
where:
Base-Base interactions energy: -220.847
where: short stacking energy: -93.128
Base-Backbone interact. energy: -1.389
local terms energy: -140.051722
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -24.940
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: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -355.529035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.529035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.529035 (E_RNA)
where:
Base-Base interactions energy: -220.727
where: short stacking energy: -99.601
Base-Backbone interact. energy: -0.176
local terms energy: -134.625372
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -160.382875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.382875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.382875 (E_RNA)
where:
Base-Base interactions energy: -53.182
where: short stacking energy: -53.154
Base-Backbone interact. energy: 0.195
local terms energy: -107.395735
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -153.137546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.137546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.137546 (E_RNA)
where:
Base-Base interactions energy: -64.544
where: short stacking energy: -49.559
Base-Backbone interact. energy: -0.241
local terms energy: -88.353153
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -5.507
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: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -159.823400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.823400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.823400 (E_RNA)
where:
Base-Base interactions energy: -57.117
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.437
local terms energy: -102.269595
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -545.613863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.613863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.613863 (E_RNA)
where:
Base-Base interactions energy: -368.886
where: short stacking energy: -159.085
Base-Backbone interact. energy: -0.253
local terms energy: -176.474416
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -50.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -542.979328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.979328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.979328 (E_RNA)
where:
Base-Base interactions energy: -359.946
where: short stacking energy: -152.284
Base-Backbone interact. energy: -0.263
local terms energy: -182.770688
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -49.474
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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -518.111029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.111029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.111029 (E_RNA)
where:
Base-Base interactions energy: -347.507
where: short stacking energy: -147.823
Base-Backbone interact. energy: -0.063
local terms energy: -170.540891
where:
bonds (distance) C4'-P energy: -33.921
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -45.964
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: 89
Temperature: 1.050000
Total energy: -431.683452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.683452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.683452 (E_RNA)
where:
Base-Base interactions energy: -273.485
where: short stacking energy: -121.544
Base-Backbone interact. energy: -0.223
local terms energy: -157.975514
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -35.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -496.376402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.376402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.376402 (E_RNA)
where:
Base-Base interactions energy: -330.033
where: short stacking energy: -149.988
Base-Backbone interact. energy: -0.614
local terms energy: -165.728783
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -48.530
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: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -369.981774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.981774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.981774 (E_RNA)
where:
Base-Base interactions energy: -237.669
where: short stacking energy: -110.424
Base-Backbone interact. energy: -1.420
local terms energy: -130.892332
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -28.621
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: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -379.662237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.662237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.662237 (E_RNA)
where:
Base-Base interactions energy: -235.620
where: short stacking energy: -113.332
Base-Backbone interact. energy: -0.591
local terms energy: -143.451212
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -172.076425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.076425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.076425 (E_RNA)
where:
Base-Base interactions energy: -62.493
where: short stacking energy: -52.222
Base-Backbone interact. energy: -0.085
local terms energy: -109.499042
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -26.129
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -5.268
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: 89
Temperature: 1.300000
Total energy: -158.326698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.326698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.326698 (E_RNA)
where:
Base-Base interactions energy: -60.264
where: short stacking energy: -48.810
Base-Backbone interact. energy: -0.352
local terms energy: -97.710707
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -146.372617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.372617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.372617 (E_RNA)
where:
Base-Base interactions energy: -51.723
where: short stacking energy: -46.150
Base-Backbone interact. energy: 1.409
local terms energy: -96.059321
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -553.512538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.512538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.512538 (E_RNA)
where:
Base-Base interactions energy: -387.475
where: short stacking energy: -157.897
Base-Backbone interact. energy: -0.019
local terms energy: -166.018106
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: -49.537
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: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -552.123003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.123003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.123003 (E_RNA)
where:
Base-Base interactions energy: -380.839
where: short stacking energy: -165.265
Base-Backbone interact. energy: -0.896
local terms energy: -170.388389
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -50.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -466.837748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.837748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.837748 (E_RNA)
where:
Base-Base interactions energy: -297.090
where: short stacking energy: -137.431
Base-Backbone interact. energy: -0.137
local terms energy: -169.610670
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -37.337
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -40.721
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: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -522.118369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.118369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.118369 (E_RNA)
where:
Base-Base interactions energy: -360.470
where: short stacking energy: -157.869
Base-Backbone interact. energy: -0.322
local terms energy: -161.326914
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -50.633
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: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -479.823750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.823750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.823750 (E_RNA)
where:
Base-Base interactions energy: -323.438
where: short stacking energy: -143.590
Base-Backbone interact. energy: -1.246
local terms energy: -155.139202
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -49.422
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: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -372.192901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.192901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.192901 (E_RNA)
where:
Base-Base interactions energy: -236.108
where: short stacking energy: -100.330
Base-Backbone interact. energy: -0.898
local terms energy: -135.187421
where:
bonds (distance) C4'-P energy: -33.296
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -350.066760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.066760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.066760 (E_RNA)
where:
Base-Base interactions energy: -227.348
where: short stacking energy: -104.060
Base-Backbone interact. energy: -0.659
local terms energy: -122.059051
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -25.041
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: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -162.555264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.555264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.555264 (E_RNA)
where:
Base-Base interactions energy: -65.912
where: short stacking energy: -48.569
Base-Backbone interact. energy: 0.360
local terms energy: -97.003995
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: 3.847
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: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -156.285811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.285811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.285811 (E_RNA)
where:
Base-Base interactions energy: -68.840
where: short stacking energy: -50.393
Base-Backbone interact. energy: -0.401
local terms energy: -87.044703
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: 1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -142.742105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.742105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.742105 (E_RNA)
where:
Base-Base interactions energy: -54.683
where: short stacking energy: -43.449
Base-Backbone interact. energy: -1.020
local terms energy: -87.039690
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -37.922
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: 3.827
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: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -557.589561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.589561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.589561 (E_RNA)
where:
Base-Base interactions energy: -372.065
where: short stacking energy: -152.571
Base-Backbone interact. energy: -1.064
local terms energy: -184.460580
where:
bonds (distance) C4'-P energy: -36.361
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -49.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -551.358428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.358428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.358428 (E_RNA)
where:
Base-Base interactions energy: -381.253
where: short stacking energy: -152.128
Base-Backbone interact. energy: -0.174
local terms energy: -169.931950
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -32.193
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -48.171
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: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -453.604474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.604474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.604474 (E_RNA)
where:
Base-Base interactions energy: -291.468
where: short stacking energy: -138.347
Base-Backbone interact. energy: -1.109
local terms energy: -161.027288
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -22.477
tors. eta vs tors. theta energy: -40.025
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: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -496.500812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.500812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.500812 (E_RNA)
where:
Base-Base interactions energy: -332.857
where: short stacking energy: -141.238
Base-Backbone interact. energy: -0.798
local terms energy: -162.845434
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -35.170
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -40.327
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: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -458.932430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.932430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.932430 (E_RNA)
where:
Base-Base interactions energy: -299.714
where: short stacking energy: -130.889
Base-Backbone interact. energy: 0.087
local terms energy: -159.305042
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -38.845
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -41.306
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: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -377.906935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.906935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.906935 (E_RNA)
where:
Base-Base interactions energy: -229.618
where: short stacking energy: -108.030
Base-Backbone interact. energy: -0.219
local terms energy: -148.069969
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -31.114
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -343.480341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.480341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.480341 (E_RNA)
where:
Base-Base interactions energy: -215.918
where: short stacking energy: -98.352
Base-Backbone interact. energy: 0.082
local terms energy: -127.644883
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -24.449
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: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -163.731404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.731404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.731404 (E_RNA)
where:
Base-Base interactions energy: -65.460
where: short stacking energy: -57.328
Base-Backbone interact. energy: -1.009
local terms energy: -97.262785
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -8.953
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: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -158.444002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.444002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.444002 (E_RNA)
where:
Base-Base interactions energy: -54.817
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.414
local terms energy: -103.213176
where:
bonds (distance) C4'-P energy: -30.336
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -7.419
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -142.024896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.024896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.024896 (E_RNA)
where:
Base-Base interactions energy: -52.671
where: short stacking energy: -43.865
Base-Backbone interact. energy: 1.019
local terms energy: -90.372809
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: 4.651
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: 92
Temperature: 0.900000
Total energy: -561.981866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.981866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.981866 (E_RNA)
where:
Base-Base interactions energy: -386.788
where: short stacking energy: -161.646
Base-Backbone interact. energy: -0.335
local terms energy: -174.858403
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -35.947
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -51.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -554.142901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.142901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.142901 (E_RNA)
where:
Base-Base interactions energy: -373.735
where: short stacking energy: -164.149
Base-Backbone interact. energy: -0.282
local terms energy: -180.125575
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -50.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -488.861805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.861805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.861805 (E_RNA)
where:
Base-Base interactions energy: -328.582
where: short stacking energy: -144.860
Base-Backbone interact. energy: -1.090
local terms energy: -159.189595
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -45.404
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: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -445.050906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.050906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.050906 (E_RNA)
where:
Base-Base interactions energy: -288.876
where: short stacking energy: -135.120
Base-Backbone interact. energy: -0.506
local terms energy: -155.668514
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -37.740
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -479.134599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.134599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.134599 (E_RNA)
where:
Base-Base interactions energy: -320.208
where: short stacking energy: -148.366
Base-Backbone interact. energy: -0.165
local terms energy: -158.762359
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -41.451
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: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -339.591696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.591696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.591696 (E_RNA)
where:
Base-Base interactions energy: -194.814
where: short stacking energy: -97.016
Base-Backbone interact. energy: -1.574
local terms energy: -143.203707
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -33.580
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -25.645
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -343.026376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.026376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.026376 (E_RNA)
where:
Base-Base interactions energy: -197.429
where: short stacking energy: -89.203
Base-Backbone interact. energy: -0.369
local terms energy: -145.228016
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -28.710
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: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -165.044035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.044035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.044035 (E_RNA)
where:
Base-Base interactions energy: -75.968
where: short stacking energy: -50.551
Base-Backbone interact. energy: 2.127
local terms energy: -91.203148
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -165.927990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.927990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.927990 (E_RNA)
where:
Base-Base interactions energy: -56.118
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.399
local terms energy: -109.410138
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -27.371
flat angles C4'-P-C4' energy: -29.891
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -142.393809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.393809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.393809 (E_RNA)
where:
Base-Base interactions energy: -42.880
where: short stacking energy: -27.955
Base-Backbone interact. energy: -0.236
local terms energy: -99.278106
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: 2.377
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: 93
Temperature: 0.900000
Total energy: -551.936709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.936709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.936709 (E_RNA)
where:
Base-Base interactions energy: -381.923
where: short stacking energy: -161.266
Base-Backbone interact. energy: 0.245
local terms energy: -170.258685
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -39.050
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -50.996
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -539.690150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.690150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.690150 (E_RNA)
where:
Base-Base interactions energy: -376.028
where: short stacking energy: -157.058
Base-Backbone interact. energy: -0.507
local terms energy: -163.155293
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -42.698
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: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -527.831400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.831400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.831400 (E_RNA)
where:
Base-Base interactions energy: -360.731
where: short stacking energy: -151.924
Base-Backbone interact. energy: -0.091
local terms energy: -167.009602
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -32.840
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -50.568
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: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -437.077713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.077713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.077713 (E_RNA)
where:
Base-Base interactions energy: -295.699
where: short stacking energy: -130.976
Base-Backbone interact. energy: -0.151
local terms energy: -141.227609
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -32.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -455.501257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.501257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.501257 (E_RNA)
where:
Base-Base interactions energy: -307.272
where: short stacking energy: -125.290
Base-Backbone interact. energy: -0.541
local terms energy: -147.688997
where:
bonds (distance) C4'-P energy: -28.139
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -37.697
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: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -374.544146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.544146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.544146 (E_RNA)
where:
Base-Base interactions energy: -227.637
where: short stacking energy: -99.041
Base-Backbone interact. energy: -0.481
local terms energy: -146.426990
where:
bonds (distance) C4'-P energy: -33.885
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -348.292488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.292488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.292488 (E_RNA)
where:
Base-Base interactions energy: -222.908
where: short stacking energy: -93.868
Base-Backbone interact. energy: -1.636
local terms energy: -123.747601
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -22.350
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: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -172.381002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.381002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.381002 (E_RNA)
where:
Base-Base interactions energy: -51.981
where: short stacking energy: -44.552
Base-Backbone interact. energy: 0.272
local terms energy: -120.671825
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -6.517
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: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -172.100320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.100320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.100320 (E_RNA)
where:
Base-Base interactions energy: -65.109
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.416
local terms energy: -106.575494
where:
bonds (distance) C4'-P energy: -33.368
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -139.663907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.663907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.663907 (E_RNA)
where:
Base-Base interactions energy: -48.292
where: short stacking energy: -44.271
Base-Backbone interact. energy: 3.104
local terms energy: -94.475746
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -563.812060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.812060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.812060 (E_RNA)
where:
Base-Base interactions energy: -383.802
where: short stacking energy: -167.926
Base-Backbone interact. energy: -1.394
local terms energy: -178.616198
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -54.432
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: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -555.464209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.464209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.464209 (E_RNA)
where:
Base-Base interactions energy: -378.106
where: short stacking energy: -157.237
Base-Backbone interact. energy: -0.369
local terms energy: -176.989057
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -53.937
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: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -506.569664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.569664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.569664 (E_RNA)
where:
Base-Base interactions energy: -343.913
where: short stacking energy: -142.520
Base-Backbone interact. energy: -1.671
local terms energy: -160.986109
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -34.670
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -39.907
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: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -437.407884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.407884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.407884 (E_RNA)
where:
Base-Base interactions energy: -279.413
where: short stacking energy: -129.715
Base-Backbone interact. energy: -0.822
local terms energy: -157.173036
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -39.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -474.839211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.839211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.839211 (E_RNA)
where:
Base-Base interactions energy: -314.375
where: short stacking energy: -138.216
Base-Backbone interact. energy: -0.499
local terms energy: -159.964321
where:
bonds (distance) C4'-P energy: -30.878
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -40.382
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: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -393.102950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.102950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.102950 (E_RNA)
where:
Base-Base interactions energy: -265.144
where: short stacking energy: -89.373
Base-Backbone interact. energy: 0.460
local terms energy: -128.419245
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -13.502
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: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -351.144910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.144910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.144910 (E_RNA)
where:
Base-Base interactions energy: -203.052
where: short stacking energy: -92.826
Base-Backbone interact. energy: -2.598
local terms energy: -145.494405
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: -22.352
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: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -175.281868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.281868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.281868 (E_RNA)
where:
Base-Base interactions energy: -81.713
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.167
local terms energy: -93.401765
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -149.693015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.693015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.693015 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -34.393
Base-Backbone interact. energy: -0.446
local terms energy: -114.487762
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -8.279
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: 94
Temperature: 1.350000
Total energy: -137.823666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.823666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.823666 (E_RNA)
where:
Base-Base interactions energy: -37.080
where: short stacking energy: -16.319
Base-Backbone interact. energy: -1.477
local terms energy: -99.266579
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: 6.308
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: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -563.135894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.135894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.135894 (E_RNA)
where:
Base-Base interactions energy: -379.569
where: short stacking energy: -163.390
Base-Backbone interact. energy: -0.340
local terms energy: -183.226529
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -38.283
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -53.670
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: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -559.512783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.512783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.512783 (E_RNA)
where:
Base-Base interactions energy: -386.246
where: short stacking energy: -160.013
Base-Backbone interact. energy: 0.439
local terms energy: -173.705692
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -47.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -514.056484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.056484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.056484 (E_RNA)
where:
Base-Base interactions energy: -350.359
where: short stacking energy: -145.262
Base-Backbone interact. energy: -0.801
local terms energy: -162.897155
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -43.740
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: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -488.841111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.841111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.841111 (E_RNA)
where:
Base-Base interactions energy: -324.941
where: short stacking energy: -131.413
Base-Backbone interact. energy: 1.269
local terms energy: -165.169313
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: -46.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -412.349565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.349565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.349565 (E_RNA)
where:
Base-Base interactions energy: -262.424
where: short stacking energy: -122.379
Base-Backbone interact. energy: -0.176
local terms energy: -149.749744
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -26.153
tors. eta vs tors. theta energy: -36.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -383.797585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.797585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.797585 (E_RNA)
where:
Base-Base interactions energy: -233.007
where: short stacking energy: -112.851
Base-Backbone interact. energy: 0.499
local terms energy: -151.288804
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -32.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -364.564313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.564313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.564313 (E_RNA)
where:
Base-Base interactions energy: -231.082
where: short stacking energy: -108.098
Base-Backbone interact. energy: -0.829
local terms energy: -132.653842
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -26.390
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: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -176.763149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.763149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.763149 (E_RNA)
where:
Base-Base interactions energy: -69.789
where: short stacking energy: -66.881
Base-Backbone interact. energy: -0.372
local terms energy: -106.602006
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -162.464888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.464888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.464888 (E_RNA)
where:
Base-Base interactions energy: -57.323
where: short stacking energy: -29.529
Base-Backbone interact. energy: 1.389
local terms energy: -106.530052
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -170.604741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.604741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.604741 (E_RNA)
where:
Base-Base interactions energy: -65.223
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.741
local terms energy: -104.640600
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -37.709
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: 0.370
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: 96
Temperature: 0.900000
Total energy: -550.402860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.402860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.402860 (E_RNA)
where:
Base-Base interactions energy: -375.201
where: short stacking energy: -160.873
Base-Backbone interact. energy: -0.783
local terms energy: -174.418402
where:
bonds (distance) C4'-P energy: -28.463
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -36.931
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -48.813
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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -548.106175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.106175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.106175 (E_RNA)
where:
Base-Base interactions energy: -367.130
where: short stacking energy: -164.817
Base-Backbone interact. energy: 0.172
local terms energy: -181.148451
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -35.869
flat angles C4'-P-C4' energy: -38.655
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -49.561
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: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -520.444327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.444327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.444327 (E_RNA)
where:
Base-Base interactions energy: -345.116
where: short stacking energy: -146.134
Base-Backbone interact. energy: -0.068
local terms energy: -175.260442
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -38.476
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -43.160
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: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -478.128391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.128391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.128391 (E_RNA)
where:
Base-Base interactions energy: -314.991
where: short stacking energy: -141.267
Base-Backbone interact. energy: -1.261
local terms energy: -161.876853
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -44.903
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: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -418.325098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.325098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.325098 (E_RNA)
where:
Base-Base interactions energy: -270.629
where: short stacking energy: -118.357
Base-Backbone interact. energy: -0.656
local terms energy: -147.039731
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -418.316136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.316136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.316136 (E_RNA)
where:
Base-Base interactions energy: -270.895
where: short stacking energy: -115.660
Base-Backbone interact. energy: -1.927
local terms energy: -145.494873
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -31.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -339.301134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.301134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.301134 (E_RNA)
where:
Base-Base interactions energy: -210.051
where: short stacking energy: -105.285
Base-Backbone interact. energy: -1.254
local terms energy: -127.996677
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -18.705
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: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -157.822012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.822012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.822012 (E_RNA)
where:
Base-Base interactions energy: -60.492
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.197
local terms energy: -97.133762
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -6.107
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: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -152.712123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.712123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.712123 (E_RNA)
where:
Base-Base interactions energy: -48.796
where: short stacking energy: -38.756
Base-Backbone interact. energy: 0.739
local terms energy: -104.655355
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -153.542633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.542633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.542633 (E_RNA)
where:
Base-Base interactions energy: -61.386
where: short stacking energy: -50.031
Base-Backbone interact. energy: 0.635
local terms energy: -92.792281
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -8.844
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: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -551.307138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.307138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.307138 (E_RNA)
where:
Base-Base interactions energy: -380.594
where: short stacking energy: -154.604
Base-Backbone interact. energy: -0.016
local terms energy: -170.696420
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -33.394
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -48.415
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: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -515.232115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.232115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.232115 (E_RNA)
where:
Base-Base interactions energy: -346.692
where: short stacking energy: -149.389
Base-Backbone interact. energy: -0.992
local terms energy: -167.548183
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -35.424
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -44.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -532.907209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.907209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.907209 (E_RNA)
where:
Base-Base interactions energy: -369.425
where: short stacking energy: -168.642
Base-Backbone interact. energy: 0.264
local terms energy: -163.745566
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -27.783
flat angles C4'-P-C4' energy: -38.540
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -48.019
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: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -465.462387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.462387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.462387 (E_RNA)
where:
Base-Base interactions energy: -303.153
where: short stacking energy: -142.498
Base-Backbone interact. energy: -0.253
local terms energy: -162.056369
where:
bonds (distance) C4'-P energy: -27.565
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -38.809
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -47.721
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: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -410.527666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.527666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.527666 (E_RNA)
where:
Base-Base interactions energy: -279.017
where: short stacking energy: -108.081
Base-Backbone interact. energy: -0.422
local terms energy: -131.088598
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -24.718
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -400.535579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.535579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.535579 (E_RNA)
where:
Base-Base interactions energy: -262.560
where: short stacking energy: -112.592
Base-Backbone interact. energy: -0.687
local terms energy: -137.288080
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -28.271
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: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -322.775692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.775692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.775692 (E_RNA)
where:
Base-Base interactions energy: -194.132
where: short stacking energy: -94.176
Base-Backbone interact. energy: 1.250
local terms energy: -129.893747
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -24.734
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: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -154.672967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.672967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.672967 (E_RNA)
where:
Base-Base interactions energy: -43.808
where: short stacking energy: -39.535
Base-Backbone interact. energy: 0.961
local terms energy: -111.826032
where:
bonds (distance) C4'-P energy: -24.727
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -149.126605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.126605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.126605 (E_RNA)
where:
Base-Base interactions energy: -57.022
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.634
local terms energy: -91.470123
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -1.876
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: 97
Temperature: 1.350000
Total energy: -147.291203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.291203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.291203 (E_RNA)
where:
Base-Base interactions energy: -46.370
where: short stacking energy: -43.286
Base-Backbone interact. energy: -0.356
local terms energy: -100.565280
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -6.124
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: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -550.159781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.159781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.159781 (E_RNA)
where:
Base-Base interactions energy: -376.604
where: short stacking energy: -169.067
Base-Backbone interact. energy: 0.487
local terms energy: -174.042287
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -51.315
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -506.439232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.439232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.439232 (E_RNA)
where:
Base-Base interactions energy: -349.224
where: short stacking energy: -138.301
Base-Backbone interact. energy: -0.796
local terms energy: -156.418895
where:
bonds (distance) C4'-P energy: -31.977
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -45.349
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: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -532.001430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.001430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.001430 (E_RNA)
where:
Base-Base interactions energy: -358.321
where: short stacking energy: -165.905
Base-Backbone interact. energy: 2.115
local terms energy: -175.794867
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -36.512
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -45.319
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: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -478.990589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.990589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.990589 (E_RNA)
where:
Base-Base interactions energy: -309.399
where: short stacking energy: -135.800
Base-Backbone interact. energy: -0.348
local terms energy: -169.243204
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -37.715
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -47.667
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: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -417.522303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.522303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.522303 (E_RNA)
where:
Base-Base interactions energy: -271.779
where: short stacking energy: -123.403
Base-Backbone interact. energy: -0.145
local terms energy: -145.598368
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -28.829
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: 98
Temperature: 1.150000
Total energy: -399.054320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.054320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.054320 (E_RNA)
where:
Base-Base interactions energy: -261.796
where: short stacking energy: -114.026
Base-Backbone interact. energy: -0.896
local terms energy: -136.362069
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -28.916
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: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -347.507066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.507066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.507066 (E_RNA)
where:
Base-Base interactions energy: -224.431
where: short stacking energy: -108.640
Base-Backbone interact. energy: -0.407
local terms energy: -122.668675
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -26.188
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -159.425938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.425938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.425938 (E_RNA)
where:
Base-Base interactions energy: -63.020
where: short stacking energy: -42.809
Base-Backbone interact. energy: 0.132
local terms energy: -96.538338
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: 7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -159.391031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.391031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.391031 (E_RNA)
where:
Base-Base interactions energy: -50.143
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.681
local terms energy: -108.567019
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -155.621052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.621052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.621052 (E_RNA)
where:
Base-Base interactions energy: -56.310
where: short stacking energy: -41.917
Base-Backbone interact. energy: -0.462
local terms energy: -98.848386
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -3.572
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -548.117805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.117805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.117805 (E_RNA)
where:
Base-Base interactions energy: -368.505
where: short stacking energy: -160.366
Base-Backbone interact. energy: -0.709
local terms energy: -178.903969
where:
bonds (distance) C4'-P energy: -35.334
bonds (distance) P-C4' energy: -36.714
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -53.226
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: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -545.331358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.331358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.331358 (E_RNA)
where:
Base-Base interactions energy: -377.221
where: short stacking energy: -163.495
Base-Backbone interact. energy: -0.808
local terms energy: -167.302440
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -48.532
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: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -521.958903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.958903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.958903 (E_RNA)
where:
Base-Base interactions energy: -367.069
where: short stacking energy: -143.219
Base-Backbone interact. energy: 0.247
local terms energy: -155.137082
where:
bonds (distance) C4'-P energy: -31.434
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -37.140
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: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -503.919035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.919035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.919035 (E_RNA)
where:
Base-Base interactions energy: -334.301
where: short stacking energy: -155.812
Base-Backbone interact. energy: 0.853
local terms energy: -170.470525
where:
bonds (distance) C4'-P energy: -29.551
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -48.637
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: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -421.680874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.680874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.680874 (E_RNA)
where:
Base-Base interactions energy: -278.905
where: short stacking energy: -106.354
Base-Backbone interact. energy: -0.281
local terms energy: -142.494898
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -25.314
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: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -419.296881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.296881 (E_RNA)
where:
Base-Base interactions energy: -272.874
where: short stacking energy: -122.613
Base-Backbone interact. energy: -0.235
local terms energy: -146.187874
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -34.974
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: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -362.345653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.345653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.345653 (E_RNA)
where:
Base-Base interactions energy: -234.970
where: short stacking energy: -115.993
Base-Backbone interact. energy: -0.042
local terms energy: -127.334332
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -36.998
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: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -178.126089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.126089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.126089 (E_RNA)
where:
Base-Base interactions energy: -71.911
where: short stacking energy: -51.045
Base-Backbone interact. energy: -0.703
local terms energy: -105.511644
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -6.346
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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -167.826846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.826846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.826846 (E_RNA)
where:
Base-Base interactions energy: -54.196
where: short stacking energy: -48.879
Base-Backbone interact. energy: 0.233
local terms energy: -113.863538
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -11.009
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: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -135.126230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.126230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.126230 (E_RNA)
where:
Base-Base interactions energy: -48.364
where: short stacking energy: -42.017
Base-Backbone interact. energy: 1.376
local terms energy: -88.138268
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -555.541108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.541108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.541108 (E_RNA)
where:
Base-Base interactions energy: -366.638
where: short stacking energy: -165.449
Base-Backbone interact. energy: -0.095
local terms energy: -188.807855
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -54.798
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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -548.349894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.349894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.349894 (E_RNA)
where:
Base-Base interactions energy: -366.423
where: short stacking energy: -155.899
Base-Backbone interact. energy: -0.474
local terms energy: -181.452866
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -34.094
flat angles P-C4'-P energy: -27.662
tors. eta vs tors. theta energy: -53.474
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: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -517.223094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.223094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.223094 (E_RNA)
where:
Base-Base interactions energy: -348.025
where: short stacking energy: -140.808
Base-Backbone interact. energy: -0.604
local terms energy: -168.594188
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -45.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -467.900470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.900470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.900470 (E_RNA)
where:
Base-Base interactions energy: -323.800
where: short stacking energy: -138.221
Base-Backbone interact. energy: -0.733
local terms energy: -143.367198
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -36.905
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -425.943288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.943288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.943288 (E_RNA)
where:
Base-Base interactions energy: -288.282
where: short stacking energy: -124.712
Base-Backbone interact. energy: -0.324
local terms energy: -137.337365
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -32.863
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: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -424.143519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.143519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.143519 (E_RNA)
where:
Base-Base interactions energy: -274.482
where: short stacking energy: -123.670
Base-Backbone interact. energy: -0.543
local terms energy: -149.118142
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -34.521
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -334.088100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.088100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.088100 (E_RNA)
where:
Base-Base interactions energy: -209.461
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.395
local terms energy: -124.232439
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -20.371
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: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -158.717900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.717900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.717900 (E_RNA)
where:
Base-Base interactions energy: -66.127
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.807
local terms energy: -91.784197
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: 3.362
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: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -152.466845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.466845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.466845 (E_RNA)
where:
Base-Base interactions energy: -54.648
where: short stacking energy: -52.674
Base-Backbone interact. energy: 2.678
local terms energy: -100.496524
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -1.727
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: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -133.649803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.649803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.649803 (E_RNA)
where:
Base-Base interactions energy: -35.136
where: short stacking energy: -32.625
Base-Backbone interact. energy: -0.266
local terms energy: -98.248096
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: 4.256
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: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -546.278588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.278588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.278588 (E_RNA)
where:
Base-Base interactions energy: -363.894
where: short stacking energy: -163.702
Base-Backbone interact. energy: -1.390
local terms energy: -180.993914
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -48.989
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: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -549.494440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.494440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.494440 (E_RNA)
where:
Base-Base interactions energy: -362.322
where: short stacking energy: -156.760
Base-Backbone interact. energy: -1.004
local terms energy: -186.168071
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -52.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -527.102375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.102375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.102375 (E_RNA)
where:
Base-Base interactions energy: -356.905
where: short stacking energy: -158.482
Base-Backbone interact. energy: -0.759
local terms energy: -169.437976
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -49.048
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: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -480.389405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.389405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.389405 (E_RNA)
where:
Base-Base interactions energy: -321.328
where: short stacking energy: -144.223
Base-Backbone interact. energy: -1.523
local terms energy: -157.538299
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -46.948
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -412.466362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.466362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.466362 (E_RNA)
where:
Base-Base interactions energy: -276.280
where: short stacking energy: -114.439
Base-Backbone interact. energy: -0.387
local terms energy: -135.799396
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -419.814929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.814929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.814929 (E_RNA)
where:
Base-Base interactions energy: -262.940
where: short stacking energy: -122.305
Base-Backbone interact. energy: -0.716
local terms energy: -156.158162
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -37.161
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -35.826
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: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -354.893341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.893341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.893341 (E_RNA)
where:
Base-Base interactions energy: -213.555
where: short stacking energy: -99.664
Base-Backbone interact. energy: 2.194
local terms energy: -143.532584
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -30.061
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: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -150.861334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.861334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.861334 (E_RNA)
where:
Base-Base interactions energy: -54.997
where: short stacking energy: -38.851
Base-Backbone interact. energy: -1.237
local terms energy: -94.626971
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: 5.725
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: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -162.520453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.520453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.520453 (E_RNA)
where:
Base-Base interactions energy: -57.060
where: short stacking energy: -43.967
Base-Backbone interact. energy: -1.473
local terms energy: -103.988015
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: 2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -144.189418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.189418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.189418 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -33.041
Base-Backbone interact. energy: 0.362
local terms energy: -100.543918
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -35.932
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: 5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -558.185937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.185937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.185937 (E_RNA)
where:
Base-Base interactions energy: -390.606
where: short stacking energy: -158.625
Base-Backbone interact. energy: -0.192
local terms energy: -167.387604
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -51.767
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: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -538.563332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.563332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.563332 (E_RNA)
where:
Base-Base interactions energy: -366.721
where: short stacking energy: -147.804
Base-Backbone interact. energy: -0.241
local terms energy: -171.600734
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -47.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -522.481053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.481053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.481053 (E_RNA)
where:
Base-Base interactions energy: -369.150
where: short stacking energy: -145.865
Base-Backbone interact. energy: -0.166
local terms energy: -153.164678
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -41.821
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: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -473.738332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.738332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.738332 (E_RNA)
where:
Base-Base interactions energy: -312.146
where: short stacking energy: -145.877
Base-Backbone interact. energy: -1.104
local terms energy: -160.488659
where:
bonds (distance) C4'-P energy: -31.180
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -33.022
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -45.781
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: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -430.110378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.110378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.110378 (E_RNA)
where:
Base-Base interactions energy: -271.499
where: short stacking energy: -120.741
Base-Backbone interact. energy: -0.731
local terms energy: -157.880442
where:
bonds (distance) C4'-P energy: -32.590
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -32.505
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -37.695
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -421.311961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.311961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.311961 (E_RNA)
where:
Base-Base interactions energy: -285.030
where: short stacking energy: -126.697
Base-Backbone interact. energy: 2.815
local terms energy: -139.096709
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -341.829333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.829333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.829333 (E_RNA)
where:
Base-Base interactions energy: -202.975
where: short stacking energy: -94.517
Base-Backbone interact. energy: -0.432
local terms energy: -138.423054
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -161.190746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.190746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.190746 (E_RNA)
where:
Base-Base interactions energy: -62.097
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.248
local terms energy: -98.845317
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -7.930
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: 102
Temperature: 1.300000
Total energy: -154.936517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.936517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.936517 (E_RNA)
where:
Base-Base interactions energy: -55.798
where: short stacking energy: -55.407
Base-Backbone interact. energy: 0.405
local terms energy: -99.543457
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -15.094
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: 102
Temperature: 1.350000
Total energy: -157.043449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.043449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.043449 (E_RNA)
where:
Base-Base interactions energy: -63.026
where: short stacking energy: -51.303
Base-Backbone interact. energy: 3.508
local terms energy: -97.525353
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -29.937
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: 0.536
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: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -547.523056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.523056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.523056 (E_RNA)
where:
Base-Base interactions energy: -363.372
where: short stacking energy: -151.941
Base-Backbone interact. energy: -0.502
local terms energy: -183.649011
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -37.272
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -49.197
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: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -530.008580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.008580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.008580 (E_RNA)
where:
Base-Base interactions energy: -364.414
where: short stacking energy: -146.884
Base-Backbone interact. energy: -0.128
local terms energy: -165.466821
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -527.454922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.454922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.454922 (E_RNA)
where:
Base-Base interactions energy: -374.796
where: short stacking energy: -155.347
Base-Backbone interact. energy: -0.229
local terms energy: -152.430735
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -39.767
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: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -501.612489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.612489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.612489 (E_RNA)
where:
Base-Base interactions energy: -344.288
where: short stacking energy: -166.127
Base-Backbone interact. energy: 0.147
local terms energy: -157.471528
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -49.050
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: 103
Temperature: 1.100000
Total energy: -435.923712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.923712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.923712 (E_RNA)
where:
Base-Base interactions energy: -294.688
where: short stacking energy: -134.408
Base-Backbone interact. energy: -0.551
local terms energy: -140.683883
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -37.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -409.847129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.847129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.847129 (E_RNA)
where:
Base-Base interactions energy: -276.550
where: short stacking energy: -129.911
Base-Backbone interact. energy: 0.111
local terms energy: -133.407815
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -35.146
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: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -349.154840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.154840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.154840 (E_RNA)
where:
Base-Base interactions energy: -211.545
where: short stacking energy: -103.223
Base-Backbone interact. energy: -1.631
local terms energy: -135.979170
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -26.325
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: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -151.302697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.302697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.302697 (E_RNA)
where:
Base-Base interactions energy: -55.167
where: short stacking energy: -49.060
Base-Backbone interact. energy: 1.403
local terms energy: -97.538015
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -27.516
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -3.719
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -154.959309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.959309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.959309 (E_RNA)
where:
Base-Base interactions energy: -61.695
where: short stacking energy: -34.609
Base-Backbone interact. energy: 1.403
local terms energy: -94.667709
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: 2.846
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: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -140.715538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.715538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.715538 (E_RNA)
where:
Base-Base interactions energy: -47.411
where: short stacking energy: -44.381
Base-Backbone interact. energy: -0.342
local terms energy: -92.962262
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -4.238
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: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -558.552605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.552605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.552605 (E_RNA)
where:
Base-Base interactions energy: -380.874
where: short stacking energy: -162.702
Base-Backbone interact. energy: -0.031
local terms energy: -177.648036
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -51.169
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: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -540.168597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.168597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.168597 (E_RNA)
where:
Base-Base interactions energy: -359.680
where: short stacking energy: -156.279
Base-Backbone interact. energy: -0.276
local terms energy: -180.212236
where:
bonds (distance) C4'-P energy: -33.310
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -49.940
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: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -516.516481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.516481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.516481 (E_RNA)
where:
Base-Base interactions energy: -358.544
where: short stacking energy: -137.007
Base-Backbone interact. energy: -0.061
local terms energy: -157.911182
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -45.219
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: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -489.576563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.576563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.576563 (E_RNA)
where:
Base-Base interactions energy: -324.636
where: short stacking energy: -149.720
Base-Backbone interact. energy: -0.184
local terms energy: -164.756565
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -51.812
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: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -429.305217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.305217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.305217 (E_RNA)
where:
Base-Base interactions energy: -267.225
where: short stacking energy: -122.704
Base-Backbone interact. energy: -0.635
local terms energy: -161.445234
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -37.421
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -22.897
tors. eta vs tors. theta energy: -33.893
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: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -430.271463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.271463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.271463 (E_RNA)
where:
Base-Base interactions energy: -266.509
where: short stacking energy: -128.508
Base-Backbone interact. energy: -0.933
local terms energy: -162.829442
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -32.181
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -40.657
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: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -363.225238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.225238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.225238 (E_RNA)
where:
Base-Base interactions energy: -219.798
where: short stacking energy: -104.319
Base-Backbone interact. energy: -1.075
local terms energy: -142.352233
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -35.007
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: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -161.819836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.819836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819836 (E_RNA)
where:
Base-Base interactions energy: -49.824
where: short stacking energy: -49.824
Base-Backbone interact. energy: -0.327
local terms energy: -111.668689
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -36.852
flat angles P-C4'-P energy: -15.341
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: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -165.022753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.022753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.022753 (E_RNA)
where:
Base-Base interactions energy: -65.079
where: short stacking energy: -33.133
Base-Backbone interact. energy: -0.372
local terms energy: -99.572133
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -13.319
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: 104
Temperature: 1.350000
Total energy: -150.515984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.515984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.515984 (E_RNA)
where:
Base-Base interactions energy: -54.327
where: short stacking energy: -29.683
Base-Backbone interact. energy: 0.258
local terms energy: -96.447494
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -2.020
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: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -559.715137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.715137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.715137 (E_RNA)
where:
Base-Base interactions energy: -379.825
where: short stacking energy: -163.235
Base-Backbone interact. energy: -0.428
local terms energy: -179.462835
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -51.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -533.092353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.092353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.092353 (E_RNA)
where:
Base-Base interactions energy: -363.468
where: short stacking energy: -157.506
Base-Backbone interact. energy: -0.334
local terms energy: -169.290020
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -51.912
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: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -517.327211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.327211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.327211 (E_RNA)
where:
Base-Base interactions energy: -353.178
where: short stacking energy: -148.438
Base-Backbone interact. energy: -0.045
local terms energy: -164.104177
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -45.497
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -497.111977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.111977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.111977 (E_RNA)
where:
Base-Base interactions energy: -339.829
where: short stacking energy: -150.158
Base-Backbone interact. energy: -0.681
local terms energy: -156.602713
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -44.633
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -454.604566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.604566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.604566 (E_RNA)
where:
Base-Base interactions energy: -298.698
where: short stacking energy: -137.162
Base-Backbone interact. energy: -1.309
local terms energy: -154.596589
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -39.719
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: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -410.764921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.764921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.764921 (E_RNA)
where:
Base-Base interactions energy: -268.673
where: short stacking energy: -119.505
Base-Backbone interact. energy: -0.404
local terms energy: -141.687498
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -27.766
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: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -342.445515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.445515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.445515 (E_RNA)
where:
Base-Base interactions energy: -206.243
where: short stacking energy: -93.019
Base-Backbone interact. energy: -0.790
local terms energy: -135.412270
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -164.149508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.149508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.149508 (E_RNA)
where:
Base-Base interactions energy: -58.821
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.254
local terms energy: -105.073762
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -155.221371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.221371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.221371 (E_RNA)
where:
Base-Base interactions energy: -50.255
where: short stacking energy: -47.991
Base-Backbone interact. energy: -0.307
local terms energy: -104.658865
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -136.052337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.052337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.052337 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -34.718
Base-Backbone interact. energy: -0.832
local terms energy: -100.008745
where:
bonds (distance) C4'-P energy: -30.383
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -13.938
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: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -555.393110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.393110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.393110 (E_RNA)
where:
Base-Base interactions energy: -380.956
where: short stacking energy: -159.787
Base-Backbone interact. energy: -0.300
local terms energy: -174.137303
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -51.216
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: 106
Temperature: 0.950000
Total energy: -537.869059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.869059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.869059 (E_RNA)
where:
Base-Base interactions energy: -366.514
where: short stacking energy: -161.365
Base-Backbone interact. energy: -0.047
local terms energy: -171.308227
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -48.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -495.599399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.599399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.599399 (E_RNA)
where:
Base-Base interactions energy: -331.374
where: short stacking energy: -147.493
Base-Backbone interact. energy: -0.037
local terms energy: -164.188522
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -25.739
tors. eta vs tors. theta energy: -45.920
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -491.099230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.099230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.099230 (E_RNA)
where:
Base-Base interactions energy: -334.604
where: short stacking energy: -156.236
Base-Backbone interact. energy: -0.132
local terms energy: -156.363838
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -449.412600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.412600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.412600 (E_RNA)
where:
Base-Base interactions energy: -285.520
where: short stacking energy: -129.608
Base-Backbone interact. energy: -0.172
local terms energy: -163.719665
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -33.523
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -44.831
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: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -414.380164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.380164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.380164 (E_RNA)
where:
Base-Base interactions energy: -272.164
where: short stacking energy: -125.101
Base-Backbone interact. energy: 1.881
local terms energy: -144.096988
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -17.319
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: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -339.738926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.738926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.738926 (E_RNA)
where:
Base-Base interactions energy: -210.458
where: short stacking energy: -103.363
Base-Backbone interact. energy: -0.385
local terms energy: -128.895300
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -25.885
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: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -161.039819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.039819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.039819 (E_RNA)
where:
Base-Base interactions energy: -59.747
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.261
local terms energy: -101.031451
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: 2.523
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: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -172.846846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.846846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.846846 (E_RNA)
where:
Base-Base interactions energy: -72.882
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.902
local terms energy: -99.063240
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -22.639
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: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -153.642251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.642251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.642251 (E_RNA)
where:
Base-Base interactions energy: -50.698
where: short stacking energy: -42.067
Base-Backbone interact. energy: -0.217
local terms energy: -102.727948
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -15.858
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: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -561.875620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.875620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.875620 (E_RNA)
where:
Base-Base interactions energy: -376.992
where: short stacking energy: -163.782
Base-Backbone interact. energy: -0.062
local terms energy: -184.821263
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -31.506
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: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -542.281109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.281109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.281109 (E_RNA)
where:
Base-Base interactions energy: -369.804
where: short stacking energy: -162.144
Base-Backbone interact. energy: -0.080
local terms energy: -172.397265
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -46.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -491.822764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.822764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.822764 (E_RNA)
where:
Base-Base interactions energy: -326.691
where: short stacking energy: -151.848
Base-Backbone interact. energy: -0.591
local terms energy: -164.540790
where:
bonds (distance) C4'-P energy: -35.922
bonds (distance) P-C4' energy: -26.199
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -47.119
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: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -486.085366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.085366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.085366 (E_RNA)
where:
Base-Base interactions energy: -329.881
where: short stacking energy: -128.723
Base-Backbone interact. energy: 1.333
local terms energy: -157.537539
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -40.623
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: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -448.931292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.931292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.931292 (E_RNA)
where:
Base-Base interactions energy: -292.017
where: short stacking energy: -126.132
Base-Backbone interact. energy: -1.711
local terms energy: -155.203561
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -36.932
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: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -421.894854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.894854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.894854 (E_RNA)
where:
Base-Base interactions energy: -260.602
where: short stacking energy: -110.281
Base-Backbone interact. energy: -0.148
local terms energy: -161.145252
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -36.104
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -38.272
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: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -323.769245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.769245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.769245 (E_RNA)
where:
Base-Base interactions energy: -215.472
where: short stacking energy: -98.697
Base-Backbone interact. energy: -0.918
local terms energy: -107.379400
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -174.995920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.995920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.995920 (E_RNA)
where:
Base-Base interactions energy: -66.740
where: short stacking energy: -46.588
Base-Backbone interact. energy: -0.416
local terms energy: -107.840199
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -8.107
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: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -150.844870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.844870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.844870 (E_RNA)
where:
Base-Base interactions energy: -48.217
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.300
local terms energy: -102.327849
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -1.015
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: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -146.372623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.372623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.372623 (E_RNA)
where:
Base-Base interactions energy: -48.309
where: short stacking energy: -45.799
Base-Backbone interact. energy: -0.550
local terms energy: -97.513143
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -6.793
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: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -562.482787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.482787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.482787 (E_RNA)
where:
Base-Base interactions energy: -382.202
where: short stacking energy: -154.148
Base-Backbone interact. energy: -0.119
local terms energy: -180.161750
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -36.325
flat angles P-C4'-P energy: -28.677
tors. eta vs tors. theta energy: -47.133
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: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -542.540884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.540884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.540884 (E_RNA)
where:
Base-Base interactions energy: -370.010
where: short stacking energy: -154.002
Base-Backbone interact. energy: -0.092
local terms energy: -172.439357
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -38.316
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -50.124
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: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -496.555375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.555375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.555375 (E_RNA)
where:
Base-Base interactions energy: -326.600
where: short stacking energy: -144.858
Base-Backbone interact. energy: -0.448
local terms energy: -169.507664
where:
bonds (distance) C4'-P energy: -31.025
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -36.117
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -44.836
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: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -487.415680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.415680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.415680 (E_RNA)
where:
Base-Base interactions energy: -320.093
where: short stacking energy: -140.050
Base-Backbone interact. energy: -0.330
local terms energy: -166.992759
where:
bonds (distance) C4'-P energy: -38.120
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -26.131
tors. eta vs tors. theta energy: -42.084
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: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -449.711218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.711218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.711218 (E_RNA)
where:
Base-Base interactions energy: -285.288
where: short stacking energy: -136.725
Base-Backbone interact. energy: 0.358
local terms energy: -164.781322
where:
bonds (distance) C4'-P energy: -24.890
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -48.508
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: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -441.366838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.366838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.366838 (E_RNA)
where:
Base-Base interactions energy: -294.327
where: short stacking energy: -118.175
Base-Backbone interact. energy: -1.642
local terms energy: -145.397686
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -32.126
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: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -357.323838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.323838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.323838 (E_RNA)
where:
Base-Base interactions energy: -225.515
where: short stacking energy: -119.643
Base-Backbone interact. energy: -0.698
local terms energy: -131.110896
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -30.004
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -31.116
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: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -158.290193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.290193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.290193 (E_RNA)
where:
Base-Base interactions energy: -71.926
where: short stacking energy: -54.862
Base-Backbone interact. energy: -0.767
local terms energy: -85.597343
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -4.164
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -160.281155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.281155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.281155 (E_RNA)
where:
Base-Base interactions energy: -65.145
where: short stacking energy: -61.047
Base-Backbone interact. energy: 0.017
local terms energy: -95.153529
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: 1.695
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: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -136.606441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.606441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.606441 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -42.561
Base-Backbone interact. energy: 0.579
local terms energy: -94.984838
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -13.325
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: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -558.182164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.182164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.182164 (E_RNA)
where:
Base-Base interactions energy: -376.993
where: short stacking energy: -158.850
Base-Backbone interact. energy: -0.510
local terms energy: -180.679390
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -49.904
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: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -537.704070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.704070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.704070 (E_RNA)
where:
Base-Base interactions energy: -374.130
where: short stacking energy: -154.838
Base-Backbone interact. energy: -0.521
local terms energy: -163.052881
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -31.596
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -46.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -499.109231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.109231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.109231 (E_RNA)
where:
Base-Base interactions energy: -332.243
where: short stacking energy: -154.016
Base-Backbone interact. energy: 0.254
local terms energy: -167.120112
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -489.758491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.758491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.758491 (E_RNA)
where:
Base-Base interactions energy: -326.465
where: short stacking energy: -143.886
Base-Backbone interact. energy: -0.507
local terms energy: -162.786716
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -37.764
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: -43.224
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: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -437.262826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.262826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.262826 (E_RNA)
where:
Base-Base interactions energy: -283.318
where: short stacking energy: -144.882
Base-Backbone interact. energy: 2.407
local terms energy: -156.352032
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -45.820
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -378.410125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.410125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.410125 (E_RNA)
where:
Base-Base interactions energy: -231.098
where: short stacking energy: -99.773
Base-Backbone interact. energy: -0.330
local terms energy: -146.982190
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -401.162489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.162489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.162489 (E_RNA)
where:
Base-Base interactions energy: -268.704
where: short stacking energy: -120.395
Base-Backbone interact. energy: -0.737
local terms energy: -131.721514
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -155.372854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.372854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.372854 (E_RNA)
where:
Base-Base interactions energy: -54.849
where: short stacking energy: -42.555
Base-Backbone interact. energy: -0.441
local terms energy: -100.082218
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: 0.581
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: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -151.486067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.486067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.486067 (E_RNA)
where:
Base-Base interactions energy: -49.019
where: short stacking energy: -41.547
Base-Backbone interact. energy: 1.943
local terms energy: -104.410039
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -28.763
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: 4.175
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: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -151.344824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.344824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.344824 (E_RNA)
where:
Base-Base interactions energy: -52.016
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.530
local terms energy: -98.798902
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: 0.290
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: 110
Temperature: 0.900000
Total energy: -557.520433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.520433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.520433 (E_RNA)
where:
Base-Base interactions energy: -380.718
where: short stacking energy: -171.648
Base-Backbone interact. energy: 0.413
local terms energy: -177.215587
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -51.578
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: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -548.018364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.018364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.018364 (E_RNA)
where:
Base-Base interactions energy: -379.662
where: short stacking energy: -164.024
Base-Backbone interact. energy: 0.588
local terms energy: -168.943808
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -30.447
flat angles C4'-P-C4' energy: -38.647
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -47.105
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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -505.112511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.112511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.112511 (E_RNA)
where:
Base-Base interactions energy: -354.878
where: short stacking energy: -140.645
Base-Backbone interact. energy: -1.304
local terms energy: -148.930865
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -42.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -475.789625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.789625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.789625 (E_RNA)
where:
Base-Base interactions energy: -316.031
where: short stacking energy: -145.978
Base-Backbone interact. energy: -1.371
local terms energy: -158.387895
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -49.012
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: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -425.202141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.202141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.202141 (E_RNA)
where:
Base-Base interactions energy: -289.390
where: short stacking energy: -125.901
Base-Backbone interact. energy: -1.242
local terms energy: -134.569957
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -28.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -368.176505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.176505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.176505 (E_RNA)
where:
Base-Base interactions energy: -229.153
where: short stacking energy: -99.847
Base-Backbone interact. energy: -0.809
local terms energy: -138.214423
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -30.370
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -388.050707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.050707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.050707 (E_RNA)
where:
Base-Base interactions energy: -263.280
where: short stacking energy: -106.663
Base-Backbone interact. energy: 0.012
local terms energy: -124.783232
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -18.191
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: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -174.834684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.834684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.834684 (E_RNA)
where:
Base-Base interactions energy: -59.494
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.192
local terms energy: -115.148809
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -23.017
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -145.871722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.871722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.871722 (E_RNA)
where:
Base-Base interactions energy: -51.539
where: short stacking energy: -42.604
Base-Backbone interact. energy: 0.789
local terms energy: -95.121454
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -27.845
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: 1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -146.383012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.383012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.383012 (E_RNA)
where:
Base-Base interactions energy: -47.884
where: short stacking energy: -44.939
Base-Backbone interact. energy: 0.091
local terms energy: -98.589985
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -545.120702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.120702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.120702 (E_RNA)
where:
Base-Base interactions energy: -365.751
where: short stacking energy: -166.312
Base-Backbone interact. energy: -0.271
local terms energy: -179.098597
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -32.040
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -54.322
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: 111
Temperature: 0.950000
Total energy: -546.035289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.035289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.035289 (E_RNA)
where:
Base-Base interactions energy: -371.648
where: short stacking energy: -155.019
Base-Backbone interact. energy: -0.339
local terms energy: -174.047873
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -44.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -500.659472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.659472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.659472 (E_RNA)
where:
Base-Base interactions energy: -337.220
where: short stacking energy: -141.561
Base-Backbone interact. energy: -0.760
local terms energy: -162.679770
where:
bonds (distance) C4'-P energy: -37.824
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -40.929
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: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -473.359344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.359344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.359344 (E_RNA)
where:
Base-Base interactions energy: -314.239
where: short stacking energy: -135.578
Base-Backbone interact. energy: -0.179
local terms energy: -158.941448
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -44.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -438.206633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.206633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.206633 (E_RNA)
where:
Base-Base interactions energy: -286.185
where: short stacking energy: -124.365
Base-Backbone interact. energy: -0.887
local terms energy: -151.134506
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -42.172
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: 111
Temperature: 1.150000
Total energy: -412.975114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.975114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.975114 (E_RNA)
where:
Base-Base interactions energy: -278.081
where: short stacking energy: -121.319
Base-Backbone interact. energy: 0.473
local terms energy: -135.366507
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -23.721
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: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -368.465348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.465348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.465348 (E_RNA)
where:
Base-Base interactions energy: -230.341
where: short stacking energy: -116.602
Base-Backbone interact. energy: 0.916
local terms energy: -139.040339
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -30.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -167.658165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.658165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.658165 (E_RNA)
where:
Base-Base interactions energy: -51.989
where: short stacking energy: -52.039
Base-Backbone interact. energy: -0.851
local terms energy: -114.818306
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -24.988
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -154.248952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.248952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.248952 (E_RNA)
where:
Base-Base interactions energy: -61.708
where: short stacking energy: -43.075
Base-Backbone interact. energy: -0.239
local terms energy: -92.301544
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: 5.008
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: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -151.604712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.604712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.604712 (E_RNA)
where:
Base-Base interactions energy: -59.223
where: short stacking energy: -46.603
Base-Backbone interact. energy: 2.494
local terms energy: -94.875993
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -4.830
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: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -556.391055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.391055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.391055 (E_RNA)
where:
Base-Base interactions energy: -392.134
where: short stacking energy: -162.872
Base-Backbone interact. energy: -0.868
local terms energy: -163.388998
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -21.234
tors. eta vs tors. theta energy: -44.833
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: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -542.966578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.966578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.966578 (E_RNA)
where:
Base-Base interactions energy: -362.497
where: short stacking energy: -150.455
Base-Backbone interact. energy: -0.641
local terms energy: -179.828016
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -50.419
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: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -518.882875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.882875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.882875 (E_RNA)
where:
Base-Base interactions energy: -338.530
where: short stacking energy: -154.384
Base-Backbone interact. energy: -0.023
local terms energy: -180.329598
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -50.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -434.278973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.278973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.278973 (E_RNA)
where:
Base-Base interactions energy: -293.366
where: short stacking energy: -128.034
Base-Backbone interact. energy: 0.449
local terms energy: -141.362528
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -34.844
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: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -417.307685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.307685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.307685 (E_RNA)
where:
Base-Base interactions energy: -280.781
where: short stacking energy: -112.032
Base-Backbone interact. energy: 0.271
local terms energy: -136.797597
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -28.569
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: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -413.062615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.062615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.062615 (E_RNA)
where:
Base-Base interactions energy: -251.311
where: short stacking energy: -120.251
Base-Backbone interact. energy: -0.557
local terms energy: -161.194702
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -38.461
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -345.509269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.509269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.509269 (E_RNA)
where:
Base-Base interactions energy: -215.409
where: short stacking energy: -96.872
Base-Backbone interact. energy: 0.081
local terms energy: -130.181891
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -35.953
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -23.456
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: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -170.229031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.229031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.229031 (E_RNA)
where:
Base-Base interactions energy: -64.447
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.420
local terms energy: -105.362445
where:
bonds (distance) C4'-P energy: -29.387
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: 1.379
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: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -152.627449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.627449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.627449 (E_RNA)
where:
Base-Base interactions energy: -48.348
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.699
local terms energy: -103.580015
where:
bonds (distance) C4'-P energy: -30.176
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: 6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -149.827931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.827931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.827931 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -43.964
Base-Backbone interact. energy: -1.254
local terms energy: -103.209413
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -8.364
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: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -556.886518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.886518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.886518 (E_RNA)
where:
Base-Base interactions energy: -389.085
where: short stacking energy: -168.500
Base-Backbone interact. energy: -0.392
local terms energy: -167.409817
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -49.490
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: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -542.340544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.340544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.340544 (E_RNA)
where:
Base-Base interactions energy: -367.488
where: short stacking energy: -156.318
Base-Backbone interact. energy: -0.261
local terms energy: -174.592145
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -36.111
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -50.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -524.420978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.420978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.420978 (E_RNA)
where:
Base-Base interactions energy: -361.466
where: short stacking energy: -146.838
Base-Backbone interact. energy: 0.527
local terms energy: -163.481612
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -34.233
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -48.123
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: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -487.797865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.797865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.797865 (E_RNA)
where:
Base-Base interactions energy: -336.715
where: short stacking energy: -162.157
Base-Backbone interact. energy: -0.054
local terms energy: -151.028721
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -28.147
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -45.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -425.582545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.582545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.582545 (E_RNA)
where:
Base-Base interactions energy: -285.576
where: short stacking energy: -109.617
Base-Backbone interact. energy: -0.609
local terms energy: -139.397738
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -26.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -409.328412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.328412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.328412 (E_RNA)
where:
Base-Base interactions energy: -265.885
where: short stacking energy: -112.849
Base-Backbone interact. energy: 2.999
local terms energy: -146.442521
where:
bonds (distance) C4'-P energy: -29.590
bonds (distance) P-C4' energy: -36.578
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -348.217168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.217168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.217168 (E_RNA)
where:
Base-Base interactions energy: -216.861
where: short stacking energy: -106.934
Base-Backbone interact. energy: -0.736
local terms energy: -130.620501
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -27.453
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: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -209.723815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.723815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.723815 (E_RNA)
where:
Base-Base interactions energy: -104.190
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.829
local terms energy: -104.705174
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -8.610
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: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -149.773504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.773504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.773504 (E_RNA)
where:
Base-Base interactions energy: -49.533
where: short stacking energy: -49.234
Base-Backbone interact. energy: -0.496
local terms energy: -99.744208
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -142.359950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.359950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.359950 (E_RNA)
where:
Base-Base interactions energy: -48.019
where: short stacking energy: -37.286
Base-Backbone interact. energy: 1.337
local terms energy: -95.677841
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -1.480
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: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -558.286026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.286026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.286026 (E_RNA)
where:
Base-Base interactions energy: -375.636
where: short stacking energy: -164.461
Base-Backbone interact. energy: 3.193
local terms energy: -185.843411
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: -49.127
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: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -533.062194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.062194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.062194 (E_RNA)
where:
Base-Base interactions energy: -355.597
where: short stacking energy: -149.979
Base-Backbone interact. energy: -0.026
local terms energy: -177.439368
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -46.881
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: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -485.389528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.389528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.389528 (E_RNA)
where:
Base-Base interactions energy: -313.705
where: short stacking energy: -138.209
Base-Backbone interact. energy: -0.311
local terms energy: -171.373403
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -45.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -522.386562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.386562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.386562 (E_RNA)
where:
Base-Base interactions energy: -350.889
where: short stacking energy: -143.643
Base-Backbone interact. energy: -0.232
local terms energy: -171.265093
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -46.597
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: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -436.037558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.037558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.037558 (E_RNA)
where:
Base-Base interactions energy: -283.801
where: short stacking energy: -144.986
Base-Backbone interact. energy: -0.666
local terms energy: -151.570667
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -403.308361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.308361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.308361 (E_RNA)
where:
Base-Base interactions energy: -264.589
where: short stacking energy: -103.352
Base-Backbone interact. energy: 0.748
local terms energy: -139.467620
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -33.478
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -30.609
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: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -346.021423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.021423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.021423 (E_RNA)
where:
Base-Base interactions energy: -221.107
where: short stacking energy: -103.268
Base-Backbone interact. energy: -0.195
local terms energy: -124.719602
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -24.147
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: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -204.943442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.943442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.943442 (E_RNA)
where:
Base-Base interactions energy: -107.860
where: short stacking energy: -66.486
Base-Backbone interact. energy: -1.208
local terms energy: -95.875616
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -0.449
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: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -221.433546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.433546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.433546 (E_RNA)
where:
Base-Base interactions energy: -120.768
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.569
local terms energy: -100.096853
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -17.620
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: 114
Temperature: 1.350000
Total energy: -151.240308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.240308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.240308 (E_RNA)
where:
Base-Base interactions energy: -45.699
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.410
local terms energy: -105.131456
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -34.916
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -8.493
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: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -556.698052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.698052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.698052 (E_RNA)
where:
Base-Base interactions energy: -381.601
where: short stacking energy: -161.088
Base-Backbone interact. energy: -0.102
local terms energy: -174.995007
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -47.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -494.575910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.575910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.575910 (E_RNA)
where:
Base-Base interactions energy: -325.708
where: short stacking energy: -148.163
Base-Backbone interact. energy: -0.739
local terms energy: -168.129180
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -43.411
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: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -526.388486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.388486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.388486 (E_RNA)
where:
Base-Base interactions energy: -355.599
where: short stacking energy: -157.327
Base-Backbone interact. energy: -0.668
local terms energy: -170.121387
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -35.940
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -48.434
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: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -515.569205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.569205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.569205 (E_RNA)
where:
Base-Base interactions energy: -349.298
where: short stacking energy: -154.579
Base-Backbone interact. energy: -0.360
local terms energy: -165.910860
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -48.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -415.498224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.498224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.498224 (E_RNA)
where:
Base-Base interactions energy: -279.442
where: short stacking energy: -130.794
Base-Backbone interact. energy: -0.610
local terms energy: -135.445905
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -37.068
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: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -424.708893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.708893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.708893 (E_RNA)
where:
Base-Base interactions energy: -286.366
where: short stacking energy: -115.527
Base-Backbone interact. energy: -1.148
local terms energy: -137.195017
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -29.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -352.203626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.203626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.203626 (E_RNA)
where:
Base-Base interactions energy: -212.933
where: short stacking energy: -101.438
Base-Backbone interact. energy: 0.227
local terms energy: -139.498008
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -30.262
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: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -259.951196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.951196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.951196 (E_RNA)
where:
Base-Base interactions energy: -155.751
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.113
local terms energy: -104.086894
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -7.800
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: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -207.433529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.433529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433529 (E_RNA)
where:
Base-Base interactions energy: -111.917
where: short stacking energy: -73.798
Base-Backbone interact. energy: 0.935
local terms energy: -96.451696
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -131.948703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.948703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.948703 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -44.170
Base-Backbone interact. energy: -0.237
local terms energy: -86.807471
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: 9.424
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: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -547.856782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.856782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.856782 (E_RNA)
where:
Base-Base interactions energy: -370.322
where: short stacking energy: -156.598
Base-Backbone interact. energy: -1.221
local terms energy: -176.313936
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -45.398
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: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -505.834599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.834599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.834599 (E_RNA)
where:
Base-Base interactions energy: -335.895
where: short stacking energy: -158.137
Base-Backbone interact. energy: -0.017
local terms energy: -169.922084
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -51.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -534.586314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.586314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.586314 (E_RNA)
where:
Base-Base interactions energy: -366.001
where: short stacking energy: -150.785
Base-Backbone interact. energy: 0.351
local terms energy: -168.936795
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -45.947
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: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -523.539850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.539850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.539850 (E_RNA)
where:
Base-Base interactions energy: -355.568
where: short stacking energy: -150.820
Base-Backbone interact. energy: -1.461
local terms energy: -166.510401
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -39.772
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -443.898967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.898967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.898967 (E_RNA)
where:
Base-Base interactions energy: -284.399
where: short stacking energy: -126.856
Base-Backbone interact. energy: -1.359
local terms energy: -158.141457
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -31.754
flat angles C4'-P-C4' energy: -36.712
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -36.076
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: 116
Temperature: 1.150000
Total energy: -414.765202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.765202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.765202 (E_RNA)
where:
Base-Base interactions energy: -258.460
where: short stacking energy: -124.528
Base-Backbone interact. energy: -0.312
local terms energy: -155.993161
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -40.322
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: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -344.971630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.971630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.971630 (E_RNA)
where:
Base-Base interactions energy: -215.743
where: short stacking energy: -99.453
Base-Backbone interact. energy: -0.306
local terms energy: -128.922479
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -31.488
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -235.465810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.465810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.465810 (E_RNA)
where:
Base-Base interactions energy: -120.389
where: short stacking energy: -61.829
Base-Backbone interact. energy: -0.520
local terms energy: -114.556271
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -9.605
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: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -159.154039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.154039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.154039 (E_RNA)
where:
Base-Base interactions energy: -59.313
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.744
local terms energy: -99.097927
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: 2.946
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -164.145190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.145190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.145190 (E_RNA)
where:
Base-Base interactions energy: -77.199
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.146
local terms energy: -86.799736
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -544.864196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.864196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.864196 (E_RNA)
where:
Base-Base interactions energy: -366.423
where: short stacking energy: -147.251
Base-Backbone interact. energy: 0.438
local terms energy: -178.878977
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -37.103
flat angles C4'-P-C4' energy: -38.422
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -47.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -539.684046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.684046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.684046 (E_RNA)
where:
Base-Base interactions energy: -367.774
where: short stacking energy: -153.518
Base-Backbone interact. energy: 0.823
local terms energy: -172.733647
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -26.555
tors. eta vs tors. theta energy: -50.228
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: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -486.740655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.740655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.740655 (E_RNA)
where:
Base-Base interactions energy: -329.951
where: short stacking energy: -139.422
Base-Backbone interact. energy: 0.727
local terms energy: -157.515813
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -521.997592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.997592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.997592 (E_RNA)
where:
Base-Base interactions energy: -373.037
where: short stacking energy: -160.730
Base-Backbone interact. energy: -0.054
local terms energy: -148.906686
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -47.605
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: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -437.922193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.922193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.922193 (E_RNA)
where:
Base-Base interactions energy: -292.254
where: short stacking energy: -124.002
Base-Backbone interact. energy: -1.854
local terms energy: -143.813870
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -29.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -429.114830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.114830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.114830 (E_RNA)
where:
Base-Base interactions energy: -289.370
where: short stacking energy: -141.813
Base-Backbone interact. energy: -0.298
local terms energy: -139.446634
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -36.339
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: 117
Temperature: 1.200000
Total energy: -343.706606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.706606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.706606 (E_RNA)
where:
Base-Base interactions energy: -203.858
where: short stacking energy: -93.432
Base-Backbone interact. energy: -0.347
local terms energy: -139.501649
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -31.718
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -24.322
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: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -223.842402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.842402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.842402 (E_RNA)
where:
Base-Base interactions energy: -119.258
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.858
local terms energy: -103.726410
where:
bonds (distance) C4'-P energy: -28.745
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -20.734
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: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -155.890746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.890746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.890746 (E_RNA)
where:
Base-Base interactions energy: -60.981
where: short stacking energy: -44.638
Base-Backbone interact. energy: -0.107
local terms energy: -94.803091
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: 2.253
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: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -158.012461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.012461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.012461 (E_RNA)
where:
Base-Base interactions energy: -72.029
where: short stacking energy: -41.029
Base-Backbone interact. energy: 1.618
local terms energy: -87.601584
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: 3.249
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: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -559.813938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.813938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.813938 (E_RNA)
where:
Base-Base interactions energy: -380.437
where: short stacking energy: -168.284
Base-Backbone interact. energy: -0.075
local terms energy: -179.301872
where:
bonds (distance) C4'-P energy: -35.317
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -52.794
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: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -543.214776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.214776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.214776 (E_RNA)
where:
Base-Base interactions energy: -377.465
where: short stacking energy: -150.450
Base-Backbone interact. energy: -2.048
local terms energy: -163.701437
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -32.539
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -45.858
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: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -547.096671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.096671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.096671 (E_RNA)
where:
Base-Base interactions energy: -375.645
where: short stacking energy: -165.904
Base-Backbone interact. energy: -0.078
local terms energy: -171.373000
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -48.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -473.838602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.838602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.838602 (E_RNA)
where:
Base-Base interactions energy: -310.619
where: short stacking energy: -148.457
Base-Backbone interact. energy: -0.259
local terms energy: -162.960671
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -46.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -424.831029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.831029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.831029 (E_RNA)
where:
Base-Base interactions energy: -278.064
where: short stacking energy: -124.054
Base-Backbone interact. energy: 0.741
local terms energy: -147.508733
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -36.503
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: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -396.732355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.732355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.732355 (E_RNA)
where:
Base-Base interactions energy: -255.258
where: short stacking energy: -111.061
Base-Backbone interact. energy: -0.078
local terms energy: -141.396537
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -34.642
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: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -323.477526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.477526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.477526 (E_RNA)
where:
Base-Base interactions energy: -190.174
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.441
local terms energy: -132.862218
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -23.970
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: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -247.825302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.825302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.825302 (E_RNA)
where:
Base-Base interactions energy: -134.848
where: short stacking energy: -71.925
Base-Backbone interact. energy: 0.314
local terms energy: -113.291152
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -29.630
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -152.163543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.163543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.163543 (E_RNA)
where:
Base-Base interactions energy: -46.709
where: short stacking energy: -41.273
Base-Backbone interact. energy: -0.401
local terms energy: -105.052722
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -139.037317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.037317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.037317 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.076
local terms energy: -98.425949
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: 4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -540.228606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.228606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.228606 (E_RNA)
where:
Base-Base interactions energy: -365.431
where: short stacking energy: -162.441
Base-Backbone interact. energy: -0.183
local terms energy: -174.614791
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -32.007
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -46.058
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: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -552.730986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.730986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.730986 (E_RNA)
where:
Base-Base interactions energy: -368.906
where: short stacking energy: -166.979
Base-Backbone interact. energy: -0.405
local terms energy: -183.420288
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -50.334
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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -516.488258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.488258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.488258 (E_RNA)
where:
Base-Base interactions energy: -341.878
where: short stacking energy: -146.673
Base-Backbone interact. energy: -0.594
local terms energy: -174.015783
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -45.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -465.595075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.595075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.595075 (E_RNA)
where:
Base-Base interactions energy: -309.020
where: short stacking energy: -139.868
Base-Backbone interact. energy: -0.315
local terms energy: -156.260906
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -40.639
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: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -433.649831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.649831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.649831 (E_RNA)
where:
Base-Base interactions energy: -289.828
where: short stacking energy: -131.433
Base-Backbone interact. energy: -0.688
local terms energy: -143.133543
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -41.855
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: 119
Temperature: 1.150000
Total energy: -405.645135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.645135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.645135 (E_RNA)
where:
Base-Base interactions energy: -284.290
where: short stacking energy: -120.763
Base-Backbone interact. energy: -1.455
local terms energy: -119.900463
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -30.492
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: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -342.047221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.047221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.047221 (E_RNA)
where:
Base-Base interactions energy: -214.156
where: short stacking energy: -94.695
Base-Backbone interact. energy: -0.969
local terms energy: -126.921952
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -30.392
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -18.274
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: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -245.021643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.021643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.021643 (E_RNA)
where:
Base-Base interactions energy: -135.950
where: short stacking energy: -63.902
Base-Backbone interact. energy: -1.567
local terms energy: -107.504936
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -34.291
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -7.512
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: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -182.078996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.078996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.078996 (E_RNA)
where:
Base-Base interactions energy: -88.502
where: short stacking energy: -59.096
Base-Backbone interact. energy: 0.125
local terms energy: -93.702690
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -4.313
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -153.146824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.146824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.146824 (E_RNA)
where:
Base-Base interactions energy: -55.916
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.672
local terms energy: -96.558906
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: 6.104
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: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -541.364283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.364283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.364283 (E_RNA)
where:
Base-Base interactions energy: -362.518
where: short stacking energy: -152.218
Base-Backbone interact. energy: -0.006
local terms energy: -178.839873
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -38.749
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -47.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -535.705011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.705011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.705011 (E_RNA)
where:
Base-Base interactions energy: -361.817
where: short stacking energy: -151.356
Base-Backbone interact. energy: -0.549
local terms energy: -173.338822
where:
bonds (distance) C4'-P energy: -33.776
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -40.901
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -41.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -521.458600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.458600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.458600 (E_RNA)
where:
Base-Base interactions energy: -348.909
where: short stacking energy: -152.184
Base-Backbone interact. energy: -0.147
local terms energy: -172.402750
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -46.680
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: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -477.784820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.784820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.784820 (E_RNA)
where:
Base-Base interactions energy: -320.415
where: short stacking energy: -153.120
Base-Backbone interact. energy: -0.294
local terms energy: -157.076197
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -437.337357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.337357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.337357 (E_RNA)
where:
Base-Base interactions energy: -276.190
where: short stacking energy: -125.309
Base-Backbone interact. energy: -1.353
local terms energy: -159.794149
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -34.942
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: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -397.148537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.148537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.148537 (E_RNA)
where:
Base-Base interactions energy: -270.081
where: short stacking energy: -122.776
Base-Backbone interact. energy: -0.025
local terms energy: -127.042870
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -30.779
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: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -317.783330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.783330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.783330 (E_RNA)
where:
Base-Base interactions energy: -185.970
where: short stacking energy: -85.085
Base-Backbone interact. energy: -0.208
local terms energy: -131.605319
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -21.274
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: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -268.546879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.546879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.546879 (E_RNA)
where:
Base-Base interactions energy: -154.623
where: short stacking energy: -77.543
Base-Backbone interact. energy: -0.022
local terms energy: -113.902645
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -16.476
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: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -185.850519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.850519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.850519 (E_RNA)
where:
Base-Base interactions energy: -86.284
where: short stacking energy: -51.917
Base-Backbone interact. energy: -0.501
local terms energy: -99.065666
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -1.333
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: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -135.027116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.027116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.027116 (E_RNA)
where:
Base-Base interactions energy: -52.441
where: short stacking energy: -39.113
Base-Backbone interact. energy: -0.741
local terms energy: -81.844780
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: 11.256
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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -541.427195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.427195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.427195 (E_RNA)
where:
Base-Base interactions energy: -363.205
where: short stacking energy: -161.413
Base-Backbone interact. energy: -0.766
local terms energy: -177.456280
where:
bonds (distance) C4'-P energy: -35.662
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -51.456
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: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -527.481815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.481815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.481815 (E_RNA)
where:
Base-Base interactions energy: -354.982
where: short stacking energy: -146.706
Base-Backbone interact. energy: -0.803
local terms energy: -171.696755
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -36.154
flat angles C4'-P-C4' energy: -35.264
flat angles P-C4'-P energy: -27.478
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: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -538.871912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.871912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.871912 (E_RNA)
where:
Base-Base interactions energy: -369.036
where: short stacking energy: -166.269
Base-Backbone interact. energy: -0.094
local terms energy: -169.741914
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -51.772
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: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -496.747115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.747115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.747115 (E_RNA)
where:
Base-Base interactions energy: -331.794
where: short stacking energy: -160.429
Base-Backbone interact. energy: -0.195
local terms energy: -164.758174
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -48.289
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: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -431.983319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.983319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.983319 (E_RNA)
where:
Base-Base interactions energy: -275.348
where: short stacking energy: -133.724
Base-Backbone interact. energy: -0.753
local terms energy: -155.881560
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -38.984
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: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -414.847418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.847418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.847418 (E_RNA)
where:
Base-Base interactions energy: -265.454
where: short stacking energy: -110.969
Base-Backbone interact. energy: -0.497
local terms energy: -148.896318
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -38.370
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: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -313.720737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.720737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.720737 (E_RNA)
where:
Base-Base interactions energy: -195.181
where: short stacking energy: -97.287
Base-Backbone interact. energy: -0.755
local terms energy: -117.783993
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -22.876
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: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -266.067275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.067275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.067275 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -81.311
Base-Backbone interact. energy: -0.597
local terms energy: -120.309240
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -16.864
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -229.175545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.175545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.175545 (E_RNA)
where:
Base-Base interactions energy: -123.867
where: short stacking energy: -82.685
Base-Backbone interact. energy: 0.403
local terms energy: -105.712259
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -148.949410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.949410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.949410 (E_RNA)
where:
Base-Base interactions energy: -49.907
where: short stacking energy: -45.568
Base-Backbone interact. energy: -2.432
local terms energy: -96.610719
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: 4.474
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: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -539.580478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.580478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.580478 (E_RNA)
where:
Base-Base interactions energy: -365.171
where: short stacking energy: -162.055
Base-Backbone interact. energy: -0.213
local terms energy: -174.196506
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -51.843
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: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -528.042683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.042683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.042683 (E_RNA)
where:
Base-Base interactions energy: -370.523
where: short stacking energy: -160.779
Base-Backbone interact. energy: -0.244
local terms energy: -157.275520
where:
bonds (distance) C4'-P energy: -28.621
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -32.303
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -47.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -496.018950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.018950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.018950 (E_RNA)
where:
Base-Base interactions energy: -323.800
where: short stacking energy: -156.698
Base-Backbone interact. energy: -0.766
local terms energy: -171.452725
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -48.489
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -505.885226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.885226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.885226 (E_RNA)
where:
Base-Base interactions energy: -346.759
where: short stacking energy: -137.110
Base-Backbone interact. energy: 0.174
local terms energy: -159.300469
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -430.745375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.745375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.745375 (E_RNA)
where:
Base-Base interactions energy: -284.128
where: short stacking energy: -130.061
Base-Backbone interact. energy: 0.452
local terms energy: -147.069394
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -34.400
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: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -427.719755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.719755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.719755 (E_RNA)
where:
Base-Base interactions energy: -278.357
where: short stacking energy: -111.975
Base-Backbone interact. energy: -0.553
local terms energy: -148.809597
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -36.360
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -32.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -337.381573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.381573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.381573 (E_RNA)
where:
Base-Base interactions energy: -205.079
where: short stacking energy: -98.502
Base-Backbone interact. energy: 0.754
local terms energy: -133.056192
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -268.438922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.438922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.438922 (E_RNA)
where:
Base-Base interactions energy: -139.256
where: short stacking energy: -67.174
Base-Backbone interact. energy: -1.979
local terms energy: -127.203979
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -219.385381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.385381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.385381 (E_RNA)
where:
Base-Base interactions energy: -119.821
where: short stacking energy: -67.543
Base-Backbone interact. energy: -1.532
local terms energy: -98.032203
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -154.356178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.356178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.356178 (E_RNA)
where:
Base-Base interactions energy: -49.207
where: short stacking energy: -37.719
Base-Backbone interact. energy: 0.137
local terms energy: -105.286022
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: 4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -548.060777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.060777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.060777 (E_RNA)
where:
Base-Base interactions energy: -367.521
where: short stacking energy: -160.403
Base-Backbone interact. energy: -0.795
local terms energy: -179.744157
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -50.595
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: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -537.343900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.343900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.343900 (E_RNA)
where:
Base-Base interactions energy: -375.693
where: short stacking energy: -158.987
Base-Backbone interact. energy: -0.206
local terms energy: -161.445426
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -47.329
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -505.895685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.895685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.895685 (E_RNA)
where:
Base-Base interactions energy: -340.886
where: short stacking energy: -164.430
Base-Backbone interact. energy: -0.148
local terms energy: -164.861601
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -23.742
tors. eta vs tors. theta energy: -52.966
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: 123
Temperature: 1.050000
Total energy: -525.891056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.891056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.891056 (E_RNA)
where:
Base-Base interactions energy: -355.371
where: short stacking energy: -164.380
Base-Backbone interact. energy: -0.108
local terms energy: -170.412158
where:
bonds (distance) C4'-P energy: -33.921
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -48.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -435.129647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.129647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.129647 (E_RNA)
where:
Base-Base interactions energy: -284.160
where: short stacking energy: -138.175
Base-Backbone interact. energy: 0.347
local terms energy: -151.316360
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -38.903
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: 123
Temperature: 1.150000
Total energy: -419.424744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.424744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.424744 (E_RNA)
where:
Base-Base interactions energy: -261.701
where: short stacking energy: -118.583
Base-Backbone interact. energy: -0.777
local terms energy: -156.946675
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -42.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -336.667427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.667427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.667427 (E_RNA)
where:
Base-Base interactions energy: -205.494
where: short stacking energy: -109.589
Base-Backbone interact. energy: -0.070
local terms energy: -131.102912
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -255.431685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.431685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.431685 (E_RNA)
where:
Base-Base interactions energy: -148.855
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.457
local terms energy: -106.119262
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -10.594
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: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -242.285369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.285369 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -74.655
Base-Backbone interact. energy: 0.885
local terms energy: -111.634661
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -16.938
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: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -135.234702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.234702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.234702 (E_RNA)
where:
Base-Base interactions energy: -49.379
where: short stacking energy: -38.889
Base-Backbone interact. energy: 0.215
local terms energy: -86.070258
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -537.791798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.791798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.791798 (E_RNA)
where:
Base-Base interactions energy: -359.573
where: short stacking energy: -163.531
Base-Backbone interact. energy: -0.627
local terms energy: -177.591557
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -51.809
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: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -531.715149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.715149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.715149 (E_RNA)
where:
Base-Base interactions energy: -362.118
where: short stacking energy: -158.247
Base-Backbone interact. energy: 0.206
local terms energy: -169.802635
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -51.527
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: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -535.381418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.381418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.381418 (E_RNA)
where:
Base-Base interactions energy: -364.422
where: short stacking energy: -151.039
Base-Backbone interact. energy: -0.467
local terms energy: -170.493076
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -47.452
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: 124
Temperature: 1.050000
Total energy: -486.355844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.355844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.355844 (E_RNA)
where:
Base-Base interactions energy: -326.976
where: short stacking energy: -151.502
Base-Backbone interact. energy: -0.179
local terms energy: -159.200642
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -47.620
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -446.078802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.078802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.078802 (E_RNA)
where:
Base-Base interactions energy: -301.835
where: short stacking energy: -127.083
Base-Backbone interact. energy: -0.882
local terms energy: -143.362097
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -31.263
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: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -420.494769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.494769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.494769 (E_RNA)
where:
Base-Base interactions energy: -270.409
where: short stacking energy: -146.560
Base-Backbone interact. energy: -0.736
local terms energy: -149.350117
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -41.805
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: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -304.616303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.616303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.616303 (E_RNA)
where:
Base-Base interactions energy: -176.584
where: short stacking energy: -93.727
Base-Backbone interact. energy: -0.358
local terms energy: -127.674357
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -25.949
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: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -236.111784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.111784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.111784 (E_RNA)
where:
Base-Base interactions energy: -128.225
where: short stacking energy: -67.394
Base-Backbone interact. energy: -0.995
local terms energy: -106.891694
where:
bonds (distance) C4'-P energy: -29.112
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -256.829140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.829140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.829140 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.936
local terms energy: -115.511642
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -16.669
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: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -178.746884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.746884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.746884 (E_RNA)
where:
Base-Base interactions energy: -70.718
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.181
local terms energy: -107.847640
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -550.273578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.273578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.273578 (E_RNA)
where:
Base-Base interactions energy: -369.001
where: short stacking energy: -158.738
Base-Backbone interact. energy: -1.676
local terms energy: -179.596238
where:
bonds (distance) C4'-P energy: -30.383
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -48.943
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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -511.575576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.575576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.575576 (E_RNA)
where:
Base-Base interactions energy: -352.232
where: short stacking energy: -141.377
Base-Backbone interact. energy: -0.090
local terms energy: -159.252940
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -40.850
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -531.406888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.406888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.406888 (E_RNA)
where:
Base-Base interactions energy: -364.891
where: short stacking energy: -164.328
Base-Backbone interact. energy: -0.076
local terms energy: -166.439902
where:
bonds (distance) C4'-P energy: -31.984
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -49.083
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: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -484.202507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.202507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.202507 (E_RNA)
where:
Base-Base interactions energy: -321.005
where: short stacking energy: -141.203
Base-Backbone interact. energy: -1.779
local terms energy: -161.418785
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -43.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -444.972588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.972588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.972588 (E_RNA)
where:
Base-Base interactions energy: -292.194
where: short stacking energy: -127.154
Base-Backbone interact. energy: -0.422
local terms energy: -152.356682
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -39.531
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: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -413.814764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.814764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.814764 (E_RNA)
where:
Base-Base interactions energy: -256.696
where: short stacking energy: -116.160
Base-Backbone interact. energy: -0.394
local terms energy: -156.725003
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -22.120
tors. eta vs tors. theta energy: -35.358
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: 125
Temperature: 1.200000
Total energy: -315.353088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.353088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.353088 (E_RNA)
where:
Base-Base interactions energy: -185.504
where: short stacking energy: -108.476
Base-Backbone interact. energy: -0.666
local terms energy: -129.183292
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -27.625
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -29.481
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: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -299.711152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.711152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.711152 (E_RNA)
where:
Base-Base interactions energy: -180.801
where: short stacking energy: -86.999
Base-Backbone interact. energy: -0.886
local terms energy: -118.024030
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -183.914730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.914730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.914730 (E_RNA)
where:
Base-Base interactions energy: -82.068
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.179
local terms energy: -101.668174
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -2.812
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: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -146.153503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.153503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.153503 (E_RNA)
where:
Base-Base interactions energy: -53.163
where: short stacking energy: -43.591
Base-Backbone interact. energy: 1.328
local terms energy: -94.318752
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: 1.679
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: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -551.137903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.137903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.137903 (E_RNA)
where:
Base-Base interactions energy: -371.616
where: short stacking energy: -158.760
Base-Backbone interact. energy: -0.590
local terms energy: -178.931550
where:
bonds (distance) C4'-P energy: -35.974
bonds (distance) P-C4' energy: -34.348
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -52.939
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -541.338277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.338277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.338277 (E_RNA)
where:
Base-Base interactions energy: -358.492
where: short stacking energy: -146.917
Base-Backbone interact. energy: -1.227
local terms energy: -181.619674
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -46.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -546.689646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.689646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.689646 (E_RNA)
where:
Base-Base interactions energy: -366.949
where: short stacking energy: -149.061
Base-Backbone interact. energy: -1.389
local terms energy: -178.352329
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -38.465
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -49.873
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: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -480.538824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.538824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.538824 (E_RNA)
where:
Base-Base interactions energy: -326.194
where: short stacking energy: -161.483
Base-Backbone interact. energy: -0.642
local terms energy: -153.702777
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -44.910
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: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -436.226804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.226804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.226804 (E_RNA)
where:
Base-Base interactions energy: -285.933
where: short stacking energy: -124.425
Base-Backbone interact. energy: -0.499
local terms energy: -149.794417
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -31.018
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: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -418.262643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.262643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.262643 (E_RNA)
where:
Base-Base interactions energy: -268.569
where: short stacking energy: -128.509
Base-Backbone interact. energy: -0.467
local terms energy: -149.226538
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -36.033
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: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -300.968640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.968640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.968640 (E_RNA)
where:
Base-Base interactions energy: -190.132
where: short stacking energy: -92.698
Base-Backbone interact. energy: -0.855
local terms energy: -109.981271
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -19.646
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: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -307.586734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.586734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.586734 (E_RNA)
where:
Base-Base interactions energy: -190.288
where: short stacking energy: -90.244
Base-Backbone interact. energy: -0.419
local terms energy: -116.880116
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -16.651
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: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -137.923195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.923195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.923195 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.255
local terms energy: -88.334366
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: 3.592
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: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -155.240268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.240268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.240268 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -31.628
Base-Backbone interact. energy: 2.632
local terms energy: -110.758807
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: 0.660
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: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -536.454482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.454482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.454482 (E_RNA)
where:
Base-Base interactions energy: -364.565
where: short stacking energy: -155.123
Base-Backbone interact. energy: -0.324
local terms energy: -171.565379
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -26.832
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: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -545.306851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.306851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.306851 (E_RNA)
where:
Base-Base interactions energy: -372.366
where: short stacking energy: -155.626
Base-Backbone interact. energy: -0.807
local terms energy: -172.133169
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -46.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -541.015453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.015453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.015453 (E_RNA)
where:
Base-Base interactions energy: -364.573
where: short stacking energy: -141.582
Base-Backbone interact. energy: -1.880
local terms energy: -174.562887
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -41.590
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: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -438.133774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.133774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.133774 (E_RNA)
where:
Base-Base interactions energy: -294.203
where: short stacking energy: -124.819
Base-Backbone interact. energy: -0.548
local terms energy: -143.382647
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -29.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -456.105730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.105730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.105730 (E_RNA)
where:
Base-Base interactions energy: -301.590
where: short stacking energy: -137.992
Base-Backbone interact. energy: -1.313
local terms energy: -153.203306
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -47.343
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: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -413.362888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.362888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.362888 (E_RNA)
where:
Base-Base interactions energy: -266.618
where: short stacking energy: -121.950
Base-Backbone interact. energy: -1.103
local terms energy: -145.642356
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -30.286
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -324.453174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.453174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.453174 (E_RNA)
where:
Base-Base interactions energy: -189.165
where: short stacking energy: -96.560
Base-Backbone interact. energy: -1.993
local terms energy: -133.294601
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -322.222333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.222333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.222333 (E_RNA)
where:
Base-Base interactions energy: -200.580
where: short stacking energy: -75.735
Base-Backbone interact. energy: 0.246
local terms energy: -121.888945
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -13.786
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -174.522665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.522665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.522665 (E_RNA)
where:
Base-Base interactions energy: -65.579
where: short stacking energy: -50.114
Base-Backbone interact. energy: -0.361
local terms energy: -108.582292
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -10.869
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: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -138.723294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.723294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.723294 (E_RNA)
where:
Base-Base interactions energy: -55.136
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.471
local terms energy: -83.115529
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: 0.613
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: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -545.784141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.784141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.784141 (E_RNA)
where:
Base-Base interactions energy: -369.715
where: short stacking energy: -163.671
Base-Backbone interact. energy: -0.015
local terms energy: -176.054784
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -26.713
tors. eta vs tors. theta energy: -51.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -541.624703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.624703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.624703 (E_RNA)
where:
Base-Base interactions energy: -367.178
where: short stacking energy: -149.906
Base-Backbone interact. energy: -0.627
local terms energy: -173.819489
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -37.702
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -45.276
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: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -535.596316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.596316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.596316 (E_RNA)
where:
Base-Base interactions energy: -365.871
where: short stacking energy: -146.662
Base-Backbone interact. energy: -0.472
local terms energy: -169.253654
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -46.833
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -455.526193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.526193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.526193 (E_RNA)
where:
Base-Base interactions energy: -312.183
where: short stacking energy: -133.470
Base-Backbone interact. energy: -0.760
local terms energy: -142.583324
where:
bonds (distance) C4'-P energy: -32.339
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -35.607
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: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -465.931151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.931151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.931151 (E_RNA)
where:
Base-Base interactions energy: -311.636
where: short stacking energy: -146.880
Base-Backbone interact. energy: -0.616
local terms energy: -153.679978
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -42.773
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: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -422.738592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.738592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.738592 (E_RNA)
where:
Base-Base interactions energy: -268.093
where: short stacking energy: -130.448
Base-Backbone interact. energy: -0.335
local terms energy: -154.310267
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -35.445
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: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -313.513486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.513486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.513486 (E_RNA)
where:
Base-Base interactions energy: -190.966
where: short stacking energy: -96.820
Base-Backbone interact. energy: -0.297
local terms energy: -122.250480
where:
bonds (distance) C4'-P energy: -31.612
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -23.974
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: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -313.038213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.038213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.038213 (E_RNA)
where:
Base-Base interactions energy: -199.918
where: short stacking energy: -101.910
Base-Backbone interact. energy: -0.525
local terms energy: -112.595337
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -21.800
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: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -201.104847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.104847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.104847 (E_RNA)
where:
Base-Base interactions energy: -107.561
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.522
local terms energy: -93.021600
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -5.828
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: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -133.400893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.400893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.400893 (E_RNA)
where:
Base-Base interactions energy: -43.097
where: short stacking energy: -41.103
Base-Backbone interact. energy: -0.822
local terms energy: -89.481816
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -14.723
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: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -552.329508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.329508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.329508 (E_RNA)
where:
Base-Base interactions energy: -379.300
where: short stacking energy: -165.677
Base-Backbone interact. energy: -0.287
local terms energy: -172.743013
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -49.546
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: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -555.348087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.348087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.348087 (E_RNA)
where:
Base-Base interactions energy: -384.330
where: short stacking energy: -160.444
Base-Backbone interact. energy: -0.225
local terms energy: -170.792944
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -45.080
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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -529.708285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.708285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.708285 (E_RNA)
where:
Base-Base interactions energy: -364.047
where: short stacking energy: -154.487
Base-Backbone interact. energy: -0.160
local terms energy: -165.501521
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -42.670
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: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -477.822422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.822422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.822422 (E_RNA)
where:
Base-Base interactions energy: -310.592
where: short stacking energy: -144.662
Base-Backbone interact. energy: -0.113
local terms energy: -167.117900
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -47.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -439.884257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.884257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.884257 (E_RNA)
where:
Base-Base interactions energy: -299.014
where: short stacking energy: -124.136
Base-Backbone interact. energy: -1.448
local terms energy: -139.422658
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -29.143
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -27.444
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: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -429.470367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.470367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.470367 (E_RNA)
where:
Base-Base interactions energy: -272.969
where: short stacking energy: -128.098
Base-Backbone interact. energy: -0.121
local terms energy: -156.379726
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -32.641
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -40.457
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: 129
Temperature: 1.200000
Total energy: -339.034488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.034488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.034488 (E_RNA)
where:
Base-Base interactions energy: -205.353
where: short stacking energy: -99.675
Base-Backbone interact. energy: -0.909
local terms energy: -132.772196
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -317.774274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.774274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.774274 (E_RNA)
where:
Base-Base interactions energy: -201.795
where: short stacking energy: -90.539
Base-Backbone interact. energy: -1.081
local terms energy: -114.897801
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -159.363333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.363333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.363333 (E_RNA)
where:
Base-Base interactions energy: -56.862
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.618
local terms energy: -101.883374
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -12.528
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: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -140.574529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.574529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.574529 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -33.899
Base-Backbone interact. energy: 0.180
local terms energy: -100.184578
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: 2.112
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: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -570.618631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.618631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.618631 (E_RNA)
where:
Base-Base interactions energy: -395.236
where: short stacking energy: -158.882
Base-Backbone interact. energy: -0.275
local terms energy: -175.108289
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -46.270
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -555.539651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.539651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.539651 (E_RNA)
where:
Base-Base interactions energy: -378.281
where: short stacking energy: -153.456
Base-Backbone interact. energy: -0.994
local terms energy: -176.265221
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -46.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -525.143303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.143303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.143303 (E_RNA)
where:
Base-Base interactions energy: -358.806
where: short stacking energy: -149.293
Base-Backbone interact. energy: -0.589
local terms energy: -165.747766
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -44.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -488.163342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.163342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.163342 (E_RNA)
where:
Base-Base interactions energy: -329.748
where: short stacking energy: -156.571
Base-Backbone interact. energy: -0.820
local terms energy: -157.596097
where:
bonds (distance) C4'-P energy: -31.847
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -457.666997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.666997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.666997 (E_RNA)
where:
Base-Base interactions energy: -291.653
where: short stacking energy: -131.638
Base-Backbone interact. energy: -0.890
local terms energy: -165.124087
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -34.912
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: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -419.709078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.709078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.709078 (E_RNA)
where:
Base-Base interactions energy: -264.721
where: short stacking energy: -120.864
Base-Backbone interact. energy: -0.903
local terms energy: -154.084493
where:
bonds (distance) C4'-P energy: -27.103
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -35.693
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: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -352.637725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.637725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.637725 (E_RNA)
where:
Base-Base interactions energy: -226.401
where: short stacking energy: -96.057
Base-Backbone interact. energy: -0.690
local terms energy: -125.546550
where:
bonds (distance) C4'-P energy: -26.821
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -22.322
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: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -353.687836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.687836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.687836 (E_RNA)
where:
Base-Base interactions energy: -210.249
where: short stacking energy: -101.612
Base-Backbone interact. energy: -0.617
local terms energy: -142.821485
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -29.159
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: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -169.262306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.262306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.262306 (E_RNA)
where:
Base-Base interactions energy: -68.446
where: short stacking energy: -48.413
Base-Backbone interact. energy: -0.147
local terms energy: -100.669706
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -6.632
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: 130
Temperature: 1.350000
Total energy: -134.961754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.961754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.961754 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -35.358
Base-Backbone interact. energy: 0.309
local terms energy: -97.986617
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: 1.541
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: 131
Temperature: 0.900000
Total energy: -561.786158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.786158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.786158 (E_RNA)
where:
Base-Base interactions energy: -383.868
where: short stacking energy: -151.691
Base-Backbone interact. energy: -0.858
local terms energy: -177.059895
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -38.324
flat angles C4'-P-C4' energy: -35.860
flat angles P-C4'-P energy: -22.495
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: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -520.076479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.076479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.076479 (E_RNA)
where:
Base-Base interactions energy: -351.131
where: short stacking energy: -147.044
Base-Backbone interact. energy: -0.524
local terms energy: -168.421822
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -44.913
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: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -517.886195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.886195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.886195 (E_RNA)
where:
Base-Base interactions energy: -361.845
where: short stacking energy: -142.928
Base-Backbone interact. energy: -0.723
local terms energy: -155.318257
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -22.865
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: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -498.590908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.590908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.590908 (E_RNA)
where:
Base-Base interactions energy: -330.083
where: short stacking energy: -155.841
Base-Backbone interact. energy: -0.422
local terms energy: -168.085869
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -34.807
flat angles P-C4'-P energy: -23.736
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: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -413.230293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.230293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.230293 (E_RNA)
where:
Base-Base interactions energy: -272.929
where: short stacking energy: -112.262
Base-Backbone interact. energy: -1.021
local terms energy: -139.280898
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -31.536
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: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -422.778270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.778270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.778270 (E_RNA)
where:
Base-Base interactions energy: -266.039
where: short stacking energy: -121.901
Base-Backbone interact. energy: -0.758
local terms energy: -155.981779
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -37.971
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: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -342.451625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.451625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.451625 (E_RNA)
where:
Base-Base interactions energy: -228.878
where: short stacking energy: -95.546
Base-Backbone interact. energy: -1.283
local terms energy: -112.290354
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -330.345860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.345860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.345860 (E_RNA)
where:
Base-Base interactions energy: -200.680
where: short stacking energy: -91.807
Base-Backbone interact. energy: -1.197
local terms energy: -128.469343
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -20.979
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: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -170.655122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.655122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.655122 (E_RNA)
where:
Base-Base interactions energy: -60.635
where: short stacking energy: -47.584
Base-Backbone interact. energy: -1.191
local terms energy: -108.829905
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -4.172
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: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -147.206572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.206572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.206572 (E_RNA)
where:
Base-Base interactions energy: -72.036
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.744
local terms energy: -74.426855
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: 8.430
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: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -554.694521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.694521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.694521 (E_RNA)
where:
Base-Base interactions energy: -383.555
where: short stacking energy: -156.739
Base-Backbone interact. energy: -0.249
local terms energy: -170.890745
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -37.928
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -46.817
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: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -540.614462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.614462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.614462 (E_RNA)
where:
Base-Base interactions energy: -371.427
where: short stacking energy: -167.540
Base-Backbone interact. energy: -0.023
local terms energy: -169.164038
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -48.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -529.036733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.036733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.036733 (E_RNA)
where:
Base-Base interactions energy: -356.618
where: short stacking energy: -157.196
Base-Backbone interact. energy: -0.162
local terms energy: -172.256336
where:
bonds (distance) C4'-P energy: -33.943
bonds (distance) P-C4' energy: -35.024
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -46.053
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: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -495.201082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.201082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.201082 (E_RNA)
where:
Base-Base interactions energy: -319.938
where: short stacking energy: -148.781
Base-Backbone interact. energy: -0.020
local terms energy: -175.242866
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -52.254
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: 132
Temperature: 1.100000
Total energy: -415.837470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.837470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.837470 (E_RNA)
where:
Base-Base interactions energy: -255.856
where: short stacking energy: -136.154
Base-Backbone interact. energy: 0.167
local terms energy: -160.148237
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -34.200
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -37.826
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: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -386.756685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.756685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.756685 (E_RNA)
where:
Base-Base interactions energy: -261.794
where: short stacking energy: -109.467
Base-Backbone interact. energy: -1.731
local terms energy: -123.231407
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -29.244
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: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -290.749850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.749850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.749850 (E_RNA)
where:
Base-Base interactions energy: -165.688
where: short stacking energy: -88.970
Base-Backbone interact. energy: -0.627
local terms energy: -124.434790
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -24.076
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: 132
Temperature: 1.250000
Total energy: -320.218811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.218811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.218811 (E_RNA)
where:
Base-Base interactions energy: -191.236
where: short stacking energy: -96.380
Base-Backbone interact. energy: -0.814
local terms energy: -128.168963
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -20.858
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: 132
Temperature: 1.300000
Total energy: -173.185854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185854 (E_RNA)
where:
Base-Base interactions energy: -72.256
where: short stacking energy: -52.104
Base-Backbone interact. energy: -0.055
local terms energy: -100.874469
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -2.060
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: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -132.227350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.227350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.227350 (E_RNA)
where:
Base-Base interactions energy: -46.614
where: short stacking energy: -37.877
Base-Backbone interact. energy: 0.081
local terms energy: -85.694167
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: 6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -571.347861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.347861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.347861 (E_RNA)
where:
Base-Base interactions energy: -401.094
where: short stacking energy: -154.348
Base-Backbone interact. energy: -0.280
local terms energy: -169.974042
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -45.146
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: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -537.408621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.408621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.408621 (E_RNA)
where:
Base-Base interactions energy: -371.822
where: short stacking energy: -175.178
Base-Backbone interact. energy: 0.057
local terms energy: -165.642703
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -47.172
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -519.146175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.146175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.146175 (E_RNA)
where:
Base-Base interactions energy: -349.012
where: short stacking energy: -155.204
Base-Backbone interact. energy: -1.143
local terms energy: -168.990285
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: -43.726
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: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -494.221301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.221301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.221301 (E_RNA)
where:
Base-Base interactions energy: -321.019
where: short stacking energy: -151.887
Base-Backbone interact. energy: -1.504
local terms energy: -171.698648
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -36.992
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -49.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -418.478154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.478154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.478154 (E_RNA)
where:
Base-Base interactions energy: -267.452
where: short stacking energy: -129.563
Base-Backbone interact. energy: -0.135
local terms energy: -150.890974
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -32.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -375.355272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.355272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.355272 (E_RNA)
where:
Base-Base interactions energy: -244.728
where: short stacking energy: -105.760
Base-Backbone interact. energy: -0.635
local terms energy: -129.991570
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -26.662
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: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -307.416833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.416833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.416833 (E_RNA)
where:
Base-Base interactions energy: -180.589
where: short stacking energy: -86.448
Base-Backbone interact. energy: -0.846
local terms energy: -125.981962
where:
bonds (distance) C4'-P energy: -30.665
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -286.927909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.927909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.927909 (E_RNA)
where:
Base-Base interactions energy: -170.223
where: short stacking energy: -94.678
Base-Backbone interact. energy: -1.590
local terms energy: -115.114520
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -17.665
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: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -159.325997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.325997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.325997 (E_RNA)
where:
Base-Base interactions energy: -67.380
where: short stacking energy: -37.712
Base-Backbone interact. energy: 0.128
local terms energy: -92.073216
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -145.393552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.393552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.393552 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -31.064
Base-Backbone interact. energy: -1.232
local terms energy: -97.080903
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: 8.317
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -580.186408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.186408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.186408 (E_RNA)
where:
Base-Base interactions energy: -412.093
where: short stacking energy: -155.467
Base-Backbone interact. energy: -0.576
local terms energy: -167.517685
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -33.726
flat angles C4'-P-C4' energy: -37.538
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -41.616
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: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -551.238930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.238930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.238930 (E_RNA)
where:
Base-Base interactions energy: -374.404
where: short stacking energy: -153.397
Base-Backbone interact. energy: -0.289
local terms energy: -176.545913
where:
bonds (distance) C4'-P energy: -37.421
bonds (distance) P-C4' energy: -38.067
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -48.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -537.572795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.572795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.572795 (E_RNA)
where:
Base-Base interactions energy: -366.049
where: short stacking energy: -158.600
Base-Backbone interact. energy: -1.834
local terms energy: -169.689608
where:
bonds (distance) C4'-P energy: -39.110
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -52.259
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: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -491.199602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.199602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.199602 (E_RNA)
where:
Base-Base interactions energy: -319.099
where: short stacking energy: -156.098
Base-Backbone interact. energy: -0.245
local terms energy: -171.855603
where:
bonds (distance) C4'-P energy: -37.665
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -47.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -421.432935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.432935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.432935 (E_RNA)
where:
Base-Base interactions energy: -279.724
where: short stacking energy: -122.349
Base-Backbone interact. energy: -0.098
local terms energy: -141.611153
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -34.794
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: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -398.504219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.504219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.504219 (E_RNA)
where:
Base-Base interactions energy: -260.958
where: short stacking energy: -114.806
Base-Backbone interact. energy: 0.482
local terms energy: -138.027847
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -32.206
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: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -317.459053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.459053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.459053 (E_RNA)
where:
Base-Base interactions energy: -189.426
where: short stacking energy: -104.001
Base-Backbone interact. energy: 1.768
local terms energy: -129.800779
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -303.927033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.927033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.927033 (E_RNA)
where:
Base-Base interactions energy: -180.316
where: short stacking energy: -89.774
Base-Backbone interact. energy: -0.072
local terms energy: -123.538714
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -15.283
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: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -163.222045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.222045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.222045 (E_RNA)
where:
Base-Base interactions energy: -66.208
where: short stacking energy: -47.212
Base-Backbone interact. energy: 0.084
local terms energy: -97.098491
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -35.597
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: 1.647
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: 134
Temperature: 1.350000
Total energy: -186.030847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.030847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.030847 (E_RNA)
where:
Base-Base interactions energy: -95.600
where: short stacking energy: -42.447
Base-Backbone interact. energy: 1.466
local terms energy: -91.896455
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: 2.650
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: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -576.906727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.906727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.906727 (E_RNA)
where:
Base-Base interactions energy: -399.838
where: short stacking energy: -157.200
Base-Backbone interact. energy: -0.919
local terms energy: -176.150250
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -535.128692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.128692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.128692 (E_RNA)
where:
Base-Base interactions energy: -349.441
where: short stacking energy: -153.620
Base-Backbone interact. energy: -0.324
local terms energy: -185.363511
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -35.371
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -49.359
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: 135
Temperature: 1.000000
Total energy: -515.937657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.937657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.937657 (E_RNA)
where:
Base-Base interactions energy: -343.910
where: short stacking energy: -144.993
Base-Backbone interact. energy: -0.796
local terms energy: -171.231249
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -37.471
flat angles C4'-P-C4' energy: -33.170
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -43.529
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: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -490.207708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.207708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.207708 (E_RNA)
where:
Base-Base interactions energy: -332.910
where: short stacking energy: -158.458
Base-Backbone interact. energy: 0.277
local terms energy: -157.575144
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -49.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -422.879075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.879075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.879075 (E_RNA)
where:
Base-Base interactions energy: -287.968
where: short stacking energy: -129.064
Base-Backbone interact. energy: -0.421
local terms energy: -134.490108
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -30.588
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -388.674088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.674088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.674088 (E_RNA)
where:
Base-Base interactions energy: -248.668
where: short stacking energy: -111.488
Base-Backbone interact. energy: -1.684
local terms energy: -138.322615
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -33.769
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: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -326.841897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.841897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.841897 (E_RNA)
where:
Base-Base interactions energy: -199.321
where: short stacking energy: -95.336
Base-Backbone interact. energy: -1.039
local terms energy: -126.481932
where:
bonds (distance) C4'-P energy: -27.797
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -32.654
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -295.182037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.182037 (E_RNA)
where:
Base-Base interactions energy: -166.488
where: short stacking energy: -84.575
Base-Backbone interact. energy: -2.277
local terms energy: -126.416832
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -14.650
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: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -188.841667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.841667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.841667 (E_RNA)
where:
Base-Base interactions energy: -80.524
where: short stacking energy: -55.115
Base-Backbone interact. energy: -0.108
local terms energy: -108.209171
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -135.362630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.362630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.362630 (E_RNA)
where:
Base-Base interactions energy: -31.011
where: short stacking energy: -22.520
Base-Backbone interact. energy: -0.537
local terms energy: -103.814669
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -562.067611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.067611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.067611 (E_RNA)
where:
Base-Base interactions energy: -386.010
where: short stacking energy: -165.350
Base-Backbone interact. energy: -0.397
local terms energy: -175.661023
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -47.093
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: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -536.029201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.029201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.029201 (E_RNA)
where:
Base-Base interactions energy: -354.812
where: short stacking energy: -165.738
Base-Backbone interact. energy: 0.478
local terms energy: -181.695935
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -28.370
tors. eta vs tors. theta energy: -48.841
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: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -483.591023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.591023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.591023 (E_RNA)
where:
Base-Base interactions energy: -307.327
where: short stacking energy: -140.671
Base-Backbone interact. energy: -0.666
local terms energy: -175.597849
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -50.315
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: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -530.767147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.767147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.767147 (E_RNA)
where:
Base-Base interactions energy: -358.987
where: short stacking energy: -149.386
Base-Backbone interact. energy: -0.811
local terms energy: -170.969664
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -49.305
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: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -413.981328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.981328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.981328 (E_RNA)
where:
Base-Base interactions energy: -283.388
where: short stacking energy: -126.638
Base-Backbone interact. energy: 1.661
local terms energy: -132.253922
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -25.476
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -29.537
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: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -425.726377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.726377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.726377 (E_RNA)
where:
Base-Base interactions energy: -281.905
where: short stacking energy: -119.315
Base-Backbone interact. energy: 0.988
local terms energy: -144.809072
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -33.347
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: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -336.624486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.624486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.624486 (E_RNA)
where:
Base-Base interactions energy: -217.693
where: short stacking energy: -93.891
Base-Backbone interact. energy: 1.258
local terms energy: -120.189682
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -20.880
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: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -287.724353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.724353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.724353 (E_RNA)
where:
Base-Base interactions energy: -172.126
where: short stacking energy: -85.717
Base-Backbone interact. energy: -1.200
local terms energy: -114.398459
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -159.676408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.676408 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -35.575
Base-Backbone interact. energy: 0.883
local terms energy: -116.191026
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -6.547
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -138.785036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.785036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.785036 (E_RNA)
where:
Base-Base interactions energy: -39.314
where: short stacking energy: -29.464
Base-Backbone interact. energy: -1.302
local terms energy: -98.169502
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -25.972
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: 0.795
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: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -564.702721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.702721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.702721 (E_RNA)
where:
Base-Base interactions energy: -382.948
where: short stacking energy: -154.204
Base-Backbone interact. energy: -0.980
local terms energy: -180.775076
where:
bonds (distance) C4'-P energy: -35.233
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -48.044
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: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -531.776433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.776433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.776433 (E_RNA)
where:
Base-Base interactions energy: -359.591
where: short stacking energy: -142.231
Base-Backbone interact. energy: -0.531
local terms energy: -171.654630
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -45.930
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: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -497.972953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.972953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.972953 (E_RNA)
where:
Base-Base interactions energy: -325.623
where: short stacking energy: -145.352
Base-Backbone interact. energy: 5.430
local terms energy: -177.780541
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -38.827
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -49.569
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: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -503.640156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.640156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.640156 (E_RNA)
where:
Base-Base interactions energy: -344.682
where: short stacking energy: -140.166
Base-Backbone interact. energy: -0.461
local terms energy: -158.497333
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -41.113
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: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -439.520065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.520065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.520065 (E_RNA)
where:
Base-Base interactions energy: -284.817
where: short stacking energy: -125.058
Base-Backbone interact. energy: -1.086
local terms energy: -153.617299
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -33.478
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: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -436.424167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.424167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.424167 (E_RNA)
where:
Base-Base interactions energy: -287.831
where: short stacking energy: -133.631
Base-Backbone interact. energy: -0.667
local terms energy: -147.926065
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -26.003
tors. eta vs tors. theta energy: -37.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -299.835688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.835688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.835688 (E_RNA)
where:
Base-Base interactions energy: -172.303
where: short stacking energy: -79.829
Base-Backbone interact. energy: -1.565
local terms energy: -125.967066
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -317.994621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.994621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.994621 (E_RNA)
where:
Base-Base interactions energy: -194.246
where: short stacking energy: -93.203
Base-Backbone interact. energy: -0.635
local terms energy: -123.113784
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -26.164
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: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -150.790299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.790299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.790299 (E_RNA)
where:
Base-Base interactions energy: -62.140
where: short stacking energy: -41.721
Base-Backbone interact. energy: 0.067
local terms energy: -88.717422
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -137.605206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.605206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.605206 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -34.515
Base-Backbone interact. energy: 0.958
local terms energy: -95.986255
where:
bonds (distance) C4'-P energy: -31.968
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -7.574
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -573.139321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.139321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.139321 (E_RNA)
where:
Base-Base interactions energy: -399.685
where: short stacking energy: -152.718
Base-Backbone interact. energy: -0.839
local terms energy: -172.614822
where:
bonds (distance) C4'-P energy: -36.308
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -37.442
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: -42.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -545.659260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.659260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.659260 (E_RNA)
where:
Base-Base interactions energy: -366.868
where: short stacking energy: -151.524
Base-Backbone interact. energy: -0.282
local terms energy: -178.509062
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -49.711
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: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -488.846704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.846704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.846704 (E_RNA)
where:
Base-Base interactions energy: -318.332
where: short stacking energy: -144.793
Base-Backbone interact. energy: -0.126
local terms energy: -170.389032
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -46.090
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: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -501.803861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.803861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.803861 (E_RNA)
where:
Base-Base interactions energy: -333.255
where: short stacking energy: -145.358
Base-Backbone interact. energy: 1.173
local terms energy: -169.721346
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -432.062324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.062324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.062324 (E_RNA)
where:
Base-Base interactions energy: -269.294
where: short stacking energy: -124.272
Base-Backbone interact. energy: -1.395
local terms energy: -161.373861
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -39.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -415.504919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.504919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.504919 (E_RNA)
where:
Base-Base interactions energy: -274.435
where: short stacking energy: -111.524
Base-Backbone interact. energy: -0.433
local terms energy: -140.636442
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -30.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -348.938446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.938446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.938446 (E_RNA)
where:
Base-Base interactions energy: -210.961
where: short stacking energy: -102.852
Base-Backbone interact. energy: -0.803
local terms energy: -137.173986
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -29.477
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: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -293.803932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.803932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.803932 (E_RNA)
where:
Base-Base interactions energy: -181.553
where: short stacking energy: -91.187
Base-Backbone interact. energy: -1.488
local terms energy: -110.763009
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -18.371
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: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -192.725047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.725047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.725047 (E_RNA)
where:
Base-Base interactions energy: -100.686
where: short stacking energy: -47.333
Base-Backbone interact. energy: 0.912
local terms energy: -92.950585
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -18.838
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -135.936910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.936910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.936910 (E_RNA)
where:
Base-Base interactions energy: -42.379
where: short stacking energy: -39.028
Base-Backbone interact. energy: 0.161
local terms energy: -93.719186
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -17.156
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: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -572.378728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.378728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.378728 (E_RNA)
where:
Base-Base interactions energy: -397.753
where: short stacking energy: -153.407
Base-Backbone interact. energy: 0.266
local terms energy: -174.891716
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -27.119
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: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -508.470317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.470317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.470317 (E_RNA)
where:
Base-Base interactions energy: -339.660
where: short stacking energy: -163.582
Base-Backbone interact. energy: -0.581
local terms energy: -168.229129
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -47.990
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: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -528.716487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.716487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.716487 (E_RNA)
where:
Base-Base interactions energy: -364.796
where: short stacking energy: -153.167
Base-Backbone interact. energy: -0.228
local terms energy: -163.691721
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -47.403
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: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -511.983193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.983193 (E_RNA)
where:
Base-Base interactions energy: -356.711
where: short stacking energy: -140.595
Base-Backbone interact. energy: -0.213
local terms energy: -155.059566
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -43.391
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: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -424.714292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.714292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.714292 (E_RNA)
where:
Base-Base interactions energy: -269.814
where: short stacking energy: -120.260
Base-Backbone interact. energy: -0.122
local terms energy: -154.778061
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -25.391
tors. eta vs tors. theta energy: -31.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -397.540589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.540589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.540589 (E_RNA)
where:
Base-Base interactions energy: -239.779
where: short stacking energy: -126.696
Base-Backbone interact. energy: -0.196
local terms energy: -157.565517
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -38.451
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: 139
Temperature: 1.200000
Total energy: -418.293884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.293884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.293884 (E_RNA)
where:
Base-Base interactions energy: -273.198
where: short stacking energy: -112.942
Base-Backbone interact. energy: -0.313
local terms energy: -144.782608
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -34.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -307.945279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.945279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.945279 (E_RNA)
where:
Base-Base interactions energy: -182.745
where: short stacking energy: -81.223
Base-Backbone interact. energy: 0.266
local terms energy: -125.466183
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -16.037
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: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -197.222957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.222957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.222957 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -45.423
Base-Backbone interact. energy: 0.076
local terms energy: -82.730063
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -152.364259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.364259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.364259 (E_RNA)
where:
Base-Base interactions energy: -53.086
where: short stacking energy: -49.695
Base-Backbone interact. energy: 1.388
local terms energy: -100.666645
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -0.192
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: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -558.625550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.625550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.625550 (E_RNA)
where:
Base-Base interactions energy: -380.424
where: short stacking energy: -141.787
Base-Backbone interact. energy: -0.387
local terms energy: -177.815394
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -500.734356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.734356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.734356 (E_RNA)
where:
Base-Base interactions energy: -335.206
where: short stacking energy: -154.915
Base-Backbone interact. energy: -0.320
local terms energy: -165.208097
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -42.563
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: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -511.418882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.418882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.418882 (E_RNA)
where:
Base-Base interactions energy: -347.584
where: short stacking energy: -148.199
Base-Backbone interact. energy: 1.095
local terms energy: -164.929204
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -46.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -515.202304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.202304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.202304 (E_RNA)
where:
Base-Base interactions energy: -351.901
where: short stacking energy: -146.745
Base-Backbone interact. energy: -0.211
local terms energy: -163.089727
where:
bonds (distance) C4'-P energy: -28.297
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -42.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -393.857692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.857692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.857692 (E_RNA)
where:
Base-Base interactions energy: -264.940
where: short stacking energy: -119.026
Base-Backbone interact. energy: -0.881
local terms energy: -128.036734
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -33.721
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -32.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -421.887599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.887599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.887599 (E_RNA)
where:
Base-Base interactions energy: -281.288
where: short stacking energy: -128.889
Base-Backbone interact. energy: -0.884
local terms energy: -139.715739
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -35.827
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: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -390.195939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.195939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.195939 (E_RNA)
where:
Base-Base interactions energy: -266.270
where: short stacking energy: -112.156
Base-Backbone interact. energy: -0.235
local terms energy: -123.690352
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -298.821450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.821450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.821450 (E_RNA)
where:
Base-Base interactions energy: -170.005
where: short stacking energy: -77.864
Base-Backbone interact. energy: -0.785
local terms energy: -128.030898
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -16.718
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: 140
Temperature: 1.300000
Total energy: -216.352548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.352548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.352548 (E_RNA)
where:
Base-Base interactions energy: -111.252
where: short stacking energy: -79.117
Base-Backbone interact. energy: 0.485
local terms energy: -105.585454
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -9.356
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -141.008940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.008940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.008940 (E_RNA)
where:
Base-Base interactions energy: -44.785
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.672
local terms energy: -95.551645
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -2.761
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: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -563.276192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.276192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.276192 (E_RNA)
where:
Base-Base interactions energy: -383.580
where: short stacking energy: -167.845
Base-Backbone interact. energy: -0.785
local terms energy: -178.910415
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -38.825
flat angles C4'-P-C4' energy: -38.181
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: -48.131
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: 141
Temperature: 0.950000
Total energy: -502.873742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.873742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.873742 (E_RNA)
where:
Base-Base interactions energy: -335.230
where: short stacking energy: -151.022
Base-Backbone interact. energy: 0.129
local terms energy: -167.772414
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -46.168
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: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -524.090288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.090288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.090288 (E_RNA)
where:
Base-Base interactions energy: -355.687
where: short stacking energy: -144.846
Base-Backbone interact. energy: -0.896
local terms energy: -167.507158
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -43.165
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: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -511.871970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.871970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.871970 (E_RNA)
where:
Base-Base interactions energy: -349.690
where: short stacking energy: -156.226
Base-Backbone interact. energy: -1.139
local terms energy: -161.043705
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -50.892
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: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -395.269149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.269149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.269149 (E_RNA)
where:
Base-Base interactions energy: -246.326
where: short stacking energy: -108.035
Base-Backbone interact. energy: 0.164
local terms energy: -149.107111
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -33.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -412.710661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.710661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.710661 (E_RNA)
where:
Base-Base interactions energy: -267.532
where: short stacking energy: -118.811
Base-Backbone interact. energy: -0.158
local terms energy: -145.021104
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -34.043
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: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -404.201933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.201933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.201933 (E_RNA)
where:
Base-Base interactions energy: -273.703
where: short stacking energy: -126.224
Base-Backbone interact. energy: -0.424
local terms energy: -130.074660
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -24.455
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: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -263.630044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.630044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.630044 (E_RNA)
where:
Base-Base interactions energy: -142.074
where: short stacking energy: -71.226
Base-Backbone interact. energy: 2.091
local terms energy: -123.647258
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -17.131
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: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -159.769778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.769778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.769778 (E_RNA)
where:
Base-Base interactions energy: -55.714
where: short stacking energy: -48.299
Base-Backbone interact. energy: -1.161
local terms energy: -102.895581
where:
bonds (distance) C4'-P energy: -33.765
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -4.712
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -148.875349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.875349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.875349 (E_RNA)
where:
Base-Base interactions energy: -51.446
where: short stacking energy: -44.610
Base-Backbone interact. energy: 3.240
local terms energy: -100.669360
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -2.862
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -562.158860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.158860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.158860 (E_RNA)
where:
Base-Base interactions energy: -376.355
where: short stacking energy: -167.525
Base-Backbone interact. energy: -0.464
local terms energy: -185.339703
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -39.261
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -54.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -511.993004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.993004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.993004 (E_RNA)
where:
Base-Base interactions energy: -344.788
where: short stacking energy: -165.765
Base-Backbone interact. energy: 0.377
local terms energy: -167.581250
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -50.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -534.076195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.076195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.076195 (E_RNA)
where:
Base-Base interactions energy: -376.580
where: short stacking energy: -159.895
Base-Backbone interact. energy: 0.300
local terms energy: -157.796926
where:
bonds (distance) C4'-P energy: -28.035
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -46.125
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: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -510.359555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.359555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.359555 (E_RNA)
where:
Base-Base interactions energy: -341.790
where: short stacking energy: -137.445
Base-Backbone interact. energy: -0.182
local terms energy: -168.387153
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -39.003
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -46.182
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: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -422.418109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.418109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.418109 (E_RNA)
where:
Base-Base interactions energy: -274.985
where: short stacking energy: -115.918
Base-Backbone interact. energy: -1.896
local terms energy: -145.537556
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -34.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -352.191326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.191326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.191326 (E_RNA)
where:
Base-Base interactions energy: -215.260
where: short stacking energy: -105.014
Base-Backbone interact. energy: 0.780
local terms energy: -137.711301
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -24.769
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: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -387.184213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.184213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.184213 (E_RNA)
where:
Base-Base interactions energy: -248.686
where: short stacking energy: -117.460
Base-Backbone interact. energy: -0.421
local terms energy: -138.077674
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -30.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -280.612623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.612623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.612623 (E_RNA)
where:
Base-Base interactions energy: -165.861
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.818
local terms energy: -113.933165
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -19.891
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: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -159.608678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.608678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.608678 (E_RNA)
where:
Base-Base interactions energy: -44.658
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.606
local terms energy: -114.344670
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -5.609
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: 142
Temperature: 1.350000
Total energy: -157.010980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.010980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.010980 (E_RNA)
where:
Base-Base interactions energy: -50.101
where: short stacking energy: -35.284
Base-Backbone interact. energy: 0.094
local terms energy: -107.003524
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -551.066321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.066321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.066321 (E_RNA)
where:
Base-Base interactions energy: -373.858
where: short stacking energy: -159.540
Base-Backbone interact. energy: -0.345
local terms energy: -176.863545
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -37.712
flat angles P-C4'-P energy: -29.258
tors. eta vs tors. theta energy: -50.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -539.239808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.239808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.239808 (E_RNA)
where:
Base-Base interactions energy: -372.036
where: short stacking energy: -158.059
Base-Backbone interact. energy: 0.615
local terms energy: -167.818933
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -49.724
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: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -514.931031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.931031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.931031 (E_RNA)
where:
Base-Base interactions energy: -342.739
where: short stacking energy: -156.268
Base-Backbone interact. energy: 0.042
local terms energy: -172.233313
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -49.470
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: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -516.964750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.964750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.964750 (E_RNA)
where:
Base-Base interactions energy: -346.754
where: short stacking energy: -153.875
Base-Backbone interact. energy: 3.530
local terms energy: -173.740591
where:
bonds (distance) C4'-P energy: -32.940
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -47.620
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: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -446.497627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.497627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.497627 (E_RNA)
where:
Base-Base interactions energy: -290.061
where: short stacking energy: -126.812
Base-Backbone interact. energy: -1.524
local terms energy: -154.912792
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -387.907297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.907297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.907297 (E_RNA)
where:
Base-Base interactions energy: -253.355
where: short stacking energy: -110.068
Base-Backbone interact. energy: -0.260
local terms energy: -134.292216
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -32.482
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: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -360.481091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.481091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.481091 (E_RNA)
where:
Base-Base interactions energy: -233.251
where: short stacking energy: -94.325
Base-Backbone interact. energy: -0.285
local terms energy: -126.945207
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -20.625
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -280.457251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.457251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.457251 (E_RNA)
where:
Base-Base interactions energy: -177.394
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.615
local terms energy: -102.448883
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -21.069
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -153.173567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.173567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.173567 (E_RNA)
where:
Base-Base interactions energy: -53.268
where: short stacking energy: -41.505
Base-Backbone interact. energy: -1.406
local terms energy: -98.499553
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -137.250763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.250763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.250763 (E_RNA)
where:
Base-Base interactions energy: -44.898
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.683
local terms energy: -91.670087
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: 6.234
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: 144
Temperature: 0.900000
Total energy: -563.269540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.269540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.269540 (E_RNA)
where:
Base-Base interactions energy: -381.114
where: short stacking energy: -159.016
Base-Backbone interact. energy: -1.168
local terms energy: -180.987591
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -50.995
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: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -531.131943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.131943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.131943 (E_RNA)
where:
Base-Base interactions energy: -355.528
where: short stacking energy: -160.248
Base-Backbone interact. energy: -0.356
local terms energy: -175.248730
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -31.480
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -51.744
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: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -528.022650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.022650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.022650 (E_RNA)
where:
Base-Base interactions energy: -357.884
where: short stacking energy: -156.206
Base-Backbone interact. energy: -0.046
local terms energy: -170.093070
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -30.017
tors. eta vs tors. theta energy: -48.220
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: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -502.527512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.527512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.527512 (E_RNA)
where:
Base-Base interactions energy: -342.961
where: short stacking energy: -151.414
Base-Backbone interact. energy: -0.157
local terms energy: -159.409109
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -49.034
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: 144
Temperature: 1.100000
Total energy: -411.174267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.174267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.174267 (E_RNA)
where:
Base-Base interactions energy: -271.450
where: short stacking energy: -113.673
Base-Backbone interact. energy: -0.437
local terms energy: -139.287882
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -29.737
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -32.866
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: 144
Temperature: 1.150000
Total energy: -410.547697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.547697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.547697 (E_RNA)
where:
Base-Base interactions energy: -268.176
where: short stacking energy: -115.465
Base-Backbone interact. energy: -0.500
local terms energy: -141.871421
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -26.713
tors. eta vs tors. theta energy: -35.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -359.910105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.910105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.910105 (E_RNA)
where:
Base-Base interactions energy: -239.107
where: short stacking energy: -119.951
Base-Backbone interact. energy: -0.132
local terms energy: -120.670348
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -26.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -283.814628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.814628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.814628 (E_RNA)
where:
Base-Base interactions energy: -171.998
where: short stacking energy: -80.916
Base-Backbone interact. energy: -1.144
local terms energy: -110.672120
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -25.938
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -149.637628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.637628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.637628 (E_RNA)
where:
Base-Base interactions energy: -54.041
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.737
local terms energy: -94.859191
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -184.066269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.066269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.066269 (E_RNA)
where:
Base-Base interactions energy: -94.968
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.757
local terms energy: -88.340713
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -7.266
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -562.095633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.095633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.095633 (E_RNA)
where:
Base-Base interactions energy: -382.533
where: short stacking energy: -166.844
Base-Backbone interact. energy: 0.913
local terms energy: -180.474991
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -49.609
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: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -544.777834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.777834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.777834 (E_RNA)
where:
Base-Base interactions energy: -368.446
where: short stacking energy: -160.400
Base-Backbone interact. energy: -0.069
local terms energy: -176.262719
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -51.875
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: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -527.453417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.453417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.453417 (E_RNA)
where:
Base-Base interactions energy: -354.361
where: short stacking energy: -161.638
Base-Backbone interact. energy: -0.402
local terms energy: -172.691046
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -51.253
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: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -487.911810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.911810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.911810 (E_RNA)
where:
Base-Base interactions energy: -326.291
where: short stacking energy: -143.812
Base-Backbone interact. energy: -0.910
local terms energy: -160.710711
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -44.731
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: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -450.794513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.794513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.794513 (E_RNA)
where:
Base-Base interactions energy: -291.037
where: short stacking energy: -129.077
Base-Backbone interact. energy: -0.139
local terms energy: -159.618843
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -38.061
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: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -354.992449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.992449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.992449 (E_RNA)
where:
Base-Base interactions energy: -239.463
where: short stacking energy: -117.852
Base-Backbone interact. energy: 1.564
local terms energy: -117.094186
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -388.270439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.270439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.270439 (E_RNA)
where:
Base-Base interactions energy: -246.545
where: short stacking energy: -103.514
Base-Backbone interact. energy: -0.434
local terms energy: -141.292052
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -31.456
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: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -303.942101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.942101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.942101 (E_RNA)
where:
Base-Base interactions energy: -184.569
where: short stacking energy: -94.746
Base-Backbone interact. energy: -1.703
local terms energy: -117.669915
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -158.544356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.544356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.544356 (E_RNA)
where:
Base-Base interactions energy: -58.994
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.513
local terms energy: -99.037655
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -31.283
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: 0.432
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: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -181.042971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.042971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.042971 (E_RNA)
where:
Base-Base interactions energy: -89.550
where: short stacking energy: -49.247
Base-Backbone interact. energy: 2.567
local terms energy: -94.060228
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -551.142328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.142328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.142328 (E_RNA)
where:
Base-Base interactions energy: -378.441
where: short stacking energy: -171.708
Base-Backbone interact. energy: 0.139
local terms energy: -172.840077
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -47.156
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: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -538.013958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.013958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.013958 (E_RNA)
where:
Base-Base interactions energy: -358.331
where: short stacking energy: -157.895
Base-Backbone interact. energy: -0.218
local terms energy: -179.464947
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: -51.147
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: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -516.447951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.447951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.447951 (E_RNA)
where:
Base-Base interactions energy: -350.372
where: short stacking energy: -161.028
Base-Backbone interact. energy: -0.536
local terms energy: -165.540088
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -45.108
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: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -475.843711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.843711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.843711 (E_RNA)
where:
Base-Base interactions energy: -313.400
where: short stacking energy: -145.848
Base-Backbone interact. energy: -0.193
local terms energy: -162.250345
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -47.393
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: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -439.181341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.181341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.181341 (E_RNA)
where:
Base-Base interactions energy: -284.227
where: short stacking energy: -127.242
Base-Backbone interact. energy: -0.716
local terms energy: -154.238632
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -36.121
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: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -359.055875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.055875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.055875 (E_RNA)
where:
Base-Base interactions energy: -222.087
where: short stacking energy: -92.217
Base-Backbone interact. energy: -0.179
local terms energy: -136.789662
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -33.009
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -23.230
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: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -399.450416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.450416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.450416 (E_RNA)
where:
Base-Base interactions energy: -261.456
where: short stacking energy: -125.245
Base-Backbone interact. energy: -0.416
local terms energy: -137.577604
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -22.187
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: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -295.439022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.439022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.439022 (E_RNA)
where:
Base-Base interactions energy: -171.310
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.937
local terms energy: -123.192329
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -10.804
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: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -169.918634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.918634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.918634 (E_RNA)
where:
Base-Base interactions energy: -54.888
where: short stacking energy: -43.697
Base-Backbone interact. energy: 2.809
local terms energy: -117.839343
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -31.233
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: -6.715
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: 146
Temperature: 1.350000
Total energy: -147.850012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.850012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.850012 (E_RNA)
where:
Base-Base interactions energy: -53.892
where: short stacking energy: -48.408
Base-Backbone interact. energy: -0.382
local terms energy: -93.576356
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -541.977639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.977639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.977639 (E_RNA)
where:
Base-Base interactions energy: -357.838
where: short stacking energy: -161.858
Base-Backbone interact. energy: -0.978
local terms energy: -183.161008
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -27.366
tors. eta vs tors. theta energy: -51.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -542.885537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.885537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.885537 (E_RNA)
where:
Base-Base interactions energy: -368.636
where: short stacking energy: -154.353
Base-Backbone interact. energy: -0.258
local terms energy: -173.991878
where:
bonds (distance) C4'-P energy: -35.555
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -47.141
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -513.271330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.271330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.271330 (E_RNA)
where:
Base-Base interactions energy: -350.655
where: short stacking energy: -155.438
Base-Backbone interact. energy: -0.138
local terms energy: -162.478632
where:
bonds (distance) C4'-P energy: -28.521
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -49.617
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: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -491.600439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.600439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.600439 (E_RNA)
where:
Base-Base interactions energy: -336.071
where: short stacking energy: -153.982
Base-Backbone interact. energy: -0.131
local terms energy: -155.398431
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -30.927
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -46.497
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: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -425.043578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.043578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.043578 (E_RNA)
where:
Base-Base interactions energy: -278.855
where: short stacking energy: -134.471
Base-Backbone interact. energy: 1.586
local terms energy: -147.773949
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -27.097
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -36.861
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -412.004254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.004254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.004254 (E_RNA)
where:
Base-Base interactions energy: -275.083
where: short stacking energy: -110.983
Base-Backbone interact. energy: -0.887
local terms energy: -136.033794
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -33.067
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: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -341.066885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.066885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.066885 (E_RNA)
where:
Base-Base interactions energy: -217.247
where: short stacking energy: -96.282
Base-Backbone interact. energy: -0.436
local terms energy: -123.383921
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -301.885871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.885871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.885871 (E_RNA)
where:
Base-Base interactions energy: -180.155
where: short stacking energy: -83.712
Base-Backbone interact. energy: -0.760
local terms energy: -120.970331
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -19.699
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: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -155.746957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.746957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.746957 (E_RNA)
where:
Base-Base interactions energy: -50.150
where: short stacking energy: -47.160
Base-Backbone interact. energy: -0.240
local terms energy: -105.356871
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -4.545
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: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -150.105906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.105906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.105906 (E_RNA)
where:
Base-Base interactions energy: -53.786
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.481
local terms energy: -95.838407
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: 2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -552.990782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.990782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.990782 (E_RNA)
where:
Base-Base interactions energy: -376.936
where: short stacking energy: -150.708
Base-Backbone interact. energy: -0.787
local terms energy: -175.267836
where:
bonds (distance) C4'-P energy: -35.673
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -48.440
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: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -552.880806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.880806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.880806 (E_RNA)
where:
Base-Base interactions energy: -378.722
where: short stacking energy: -158.194
Base-Backbone interact. energy: -0.273
local terms energy: -173.885638
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -51.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -524.308749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.308749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.308749 (E_RNA)
where:
Base-Base interactions energy: -360.516
where: short stacking energy: -148.003
Base-Backbone interact. energy: -0.166
local terms energy: -163.626695
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -20.948
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: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -475.103722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.103722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.103722 (E_RNA)
where:
Base-Base interactions energy: -315.765
where: short stacking energy: -139.562
Base-Backbone interact. energy: -0.269
local terms energy: -159.069273
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -51.035
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: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -438.998925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.998925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.998925 (E_RNA)
where:
Base-Base interactions energy: -294.627
where: short stacking energy: -133.372
Base-Backbone interact. energy: -0.071
local terms energy: -144.301564
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -37.112
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: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -426.825064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.825064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.825064 (E_RNA)
where:
Base-Base interactions energy: -289.247
where: short stacking energy: -132.961
Base-Backbone interact. energy: 0.642
local terms energy: -138.219949
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -40.034
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: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -348.457733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.457733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.457733 (E_RNA)
where:
Base-Base interactions energy: -229.760
where: short stacking energy: -100.319
Base-Backbone interact. energy: -0.332
local terms energy: -118.365119
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -23.703
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: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -287.414437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.414437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.414437 (E_RNA)
where:
Base-Base interactions energy: -175.828
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.921
local terms energy: -110.666012
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -8.932
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: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -156.300773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.300773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.300773 (E_RNA)
where:
Base-Base interactions energy: -68.853
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.577
local terms energy: -86.870337
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -2.025
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -138.328407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.328407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.328407 (E_RNA)
where:
Base-Base interactions energy: -40.732
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.143
local terms energy: -97.453479
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -553.500403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.500403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.500403 (E_RNA)
where:
Base-Base interactions energy: -386.806
where: short stacking energy: -164.391
Base-Backbone interact. energy: -0.271
local terms energy: -166.423447
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -42.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -552.464383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.464383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.464383 (E_RNA)
where:
Base-Base interactions energy: -381.613
where: short stacking energy: -181.016
Base-Backbone interact. energy: -0.120
local terms energy: -170.731038
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -53.615
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: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -543.361847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.361847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.361847 (E_RNA)
where:
Base-Base interactions energy: -371.486
where: short stacking energy: -162.942
Base-Backbone interact. energy: -0.123
local terms energy: -171.752846
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -33.694
flat angles C4'-P-C4' energy: -37.251
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -50.993
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: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -479.562859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.562859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.562859 (E_RNA)
where:
Base-Base interactions energy: -313.895
where: short stacking energy: -140.343
Base-Backbone interact. energy: -0.219
local terms energy: -165.449605
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -51.791
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: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -431.252183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.252183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.252183 (E_RNA)
where:
Base-Base interactions energy: -289.154
where: short stacking energy: -133.458
Base-Backbone interact. energy: 0.682
local terms energy: -142.779777
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -33.507
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -422.336059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.336059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.336059 (E_RNA)
where:
Base-Base interactions energy: -273.741
where: short stacking energy: -133.317
Base-Backbone interact. energy: -0.634
local terms energy: -147.961143
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -34.052
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: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -345.184266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.184266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.184266 (E_RNA)
where:
Base-Base interactions energy: -214.477
where: short stacking energy: -104.737
Base-Backbone interact. energy: -0.010
local terms energy: -130.697734
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -29.396
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: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -271.160908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.160908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.160908 (E_RNA)
where:
Base-Base interactions energy: -162.124
where: short stacking energy: -73.056
Base-Backbone interact. energy: -0.912
local terms energy: -108.125800
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -157.993537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.993537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.993537 (E_RNA)
where:
Base-Base interactions energy: -53.635
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.218
local terms energy: -104.140746
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: 1.519
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: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -157.960987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.960987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.960987 (E_RNA)
where:
Base-Base interactions energy: -48.373
where: short stacking energy: -46.394
Base-Backbone interact. energy: 0.680
local terms energy: -110.267951
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -24.176
tors. eta vs tors. theta energy: -2.083
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: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -563.796749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.796749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.796749 (E_RNA)
where:
Base-Base interactions energy: -380.675
where: short stacking energy: -156.304
Base-Backbone interact. energy: -0.746
local terms energy: -182.375358
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -49.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -536.842802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.842802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.842802 (E_RNA)
where:
Base-Base interactions energy: -381.134
where: short stacking energy: -158.383
Base-Backbone interact. energy: -0.885
local terms energy: -154.823490
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -34.159
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -492.742757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.742757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.742757 (E_RNA)
where:
Base-Base interactions energy: -335.032
where: short stacking energy: -146.536
Base-Backbone interact. energy: -0.169
local terms energy: -157.542040
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -45.518
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -505.406387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.406387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.406387 (E_RNA)
where:
Base-Base interactions energy: -356.302
where: short stacking energy: -162.629
Base-Backbone interact. energy: -0.055
local terms energy: -149.049841
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -32.266
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -44.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -429.848944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.848944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.848944 (E_RNA)
where:
Base-Base interactions energy: -289.341
where: short stacking energy: -115.030
Base-Backbone interact. energy: 1.250
local terms energy: -141.757960
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -27.878
tors. eta vs tors. theta energy: -31.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -420.986940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.986940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.986940 (E_RNA)
where:
Base-Base interactions energy: -275.820
where: short stacking energy: -124.199
Base-Backbone interact. energy: -0.899
local terms energy: -144.267245
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -26.463
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -361.257647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.257647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.257647 (E_RNA)
where:
Base-Base interactions energy: -222.412
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.909
local terms energy: -137.937073
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -35.832
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -28.674
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: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -275.732244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.732244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.732244 (E_RNA)
where:
Base-Base interactions energy: -158.197
where: short stacking energy: -79.454
Base-Backbone interact. energy: -2.271
local terms energy: -115.265045
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -17.120
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: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -163.576111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.576111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.576111 (E_RNA)
where:
Base-Base interactions energy: -64.755
where: short stacking energy: -47.897
Base-Backbone interact. energy: -1.604
local terms energy: -97.216926
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -6.342
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -155.428390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.428390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.428390 (E_RNA)
where:
Base-Base interactions energy: -60.268
where: short stacking energy: -41.116
Base-Backbone interact. energy: -1.210
local terms energy: -93.950250
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -3.096
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: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -545.423418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.423418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.423418 (E_RNA)
where:
Base-Base interactions energy: -378.059
where: short stacking energy: -151.203
Base-Backbone interact. energy: -0.466
local terms energy: -166.897858
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -44.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -547.753767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.753767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.753767 (E_RNA)
where:
Base-Base interactions energy: -371.625
where: short stacking energy: -160.207
Base-Backbone interact. energy: -0.531
local terms energy: -175.597085
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -508.640345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.640345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.640345 (E_RNA)
where:
Base-Base interactions energy: -333.326
where: short stacking energy: -154.633
Base-Backbone interact. energy: -0.682
local terms energy: -174.631917
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -34.743
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -42.163
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: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -500.636346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.636346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.636346 (E_RNA)
where:
Base-Base interactions energy: -338.189
where: short stacking energy: -138.455
Base-Backbone interact. energy: -0.293
local terms energy: -162.154480
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -34.365
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -46.261
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: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -424.825393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.825393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.825393 (E_RNA)
where:
Base-Base interactions energy: -281.207
where: short stacking energy: -113.458
Base-Backbone interact. energy: -0.637
local terms energy: -142.981367
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -31.777
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: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -366.618809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.618809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.618809 (E_RNA)
where:
Base-Base interactions energy: -227.402
where: short stacking energy: -106.730
Base-Backbone interact. energy: -0.284
local terms energy: -138.933199
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -29.633
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: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -399.535799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.535799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.535799 (E_RNA)
where:
Base-Base interactions energy: -266.811
where: short stacking energy: -120.065
Base-Backbone interact. energy: -0.155
local terms energy: -132.570005
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -159.305435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.305435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.305435 (E_RNA)
where:
Base-Base interactions energy: -61.119
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.209
local terms energy: -97.977214
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -205.742656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.742656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.742656 (E_RNA)
where:
Base-Base interactions energy: -112.392
where: short stacking energy: -64.575
Base-Backbone interact. energy: 1.224
local terms energy: -94.575125
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -4.467
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: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -144.377591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.377591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.377591 (E_RNA)
where:
Base-Base interactions energy: -44.219
where: short stacking energy: -42.793
Base-Backbone interact. energy: 0.314
local terms energy: -100.472750
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -568.253859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.253859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.253859 (E_RNA)
where:
Base-Base interactions energy: -380.386
where: short stacking energy: -169.805
Base-Backbone interact. energy: -0.800
local terms energy: -187.067773
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: -53.346
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: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -533.579651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.579651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.579651 (E_RNA)
where:
Base-Base interactions energy: -364.413
where: short stacking energy: -142.179
Base-Backbone interact. energy: -0.455
local terms energy: -168.711451
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -41.474
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: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -510.555248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.555248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.555248 (E_RNA)
where:
Base-Base interactions energy: -350.150
where: short stacking energy: -139.720
Base-Backbone interact. energy: -0.300
local terms energy: -160.104612
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -26.828
tors. eta vs tors. theta energy: -44.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -488.953919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.953919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.953919 (E_RNA)
where:
Base-Base interactions energy: -331.911
where: short stacking energy: -144.362
Base-Backbone interact. energy: -0.952
local terms energy: -156.090726
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -41.634
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: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -427.180360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.180360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.180360 (E_RNA)
where:
Base-Base interactions energy: -278.821
where: short stacking energy: -109.113
Base-Backbone interact. energy: -0.527
local terms energy: -147.832426
where:
bonds (distance) C4'-P energy: -33.123
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -29.522
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: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -357.161448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.161448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.161448 (E_RNA)
where:
Base-Base interactions energy: -224.759
where: short stacking energy: -103.380
Base-Backbone interact. energy: -0.027
local terms energy: -132.376150
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -31.315
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: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -358.487601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.487601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.487601 (E_RNA)
where:
Base-Base interactions energy: -227.885
where: short stacking energy: -122.758
Base-Backbone interact. energy: -1.063
local terms energy: -129.538825
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -28.876
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -33.472
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: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -159.166127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.166127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.166127 (E_RNA)
where:
Base-Base interactions energy: -51.800
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.524
local terms energy: -106.842010
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -2.707
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: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -239.694984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.694984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.694984 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -67.419
Base-Backbone interact. energy: -1.013
local terms energy: -102.661372
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -6.895
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -134.038941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.038941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.038941 (E_RNA)
where:
Base-Base interactions energy: -50.842
where: short stacking energy: -43.082
Base-Backbone interact. energy: 1.024
local terms energy: -84.220873
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -0.161
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: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -568.761872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.761872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.761872 (E_RNA)
where:
Base-Base interactions energy: -383.059
where: short stacking energy: -172.288
Base-Backbone interact. energy: -0.210
local terms energy: -185.492567
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -54.054
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: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -531.893823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.893823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.893823 (E_RNA)
where:
Base-Base interactions energy: -367.322
where: short stacking energy: -149.220
Base-Backbone interact. energy: -0.268
local terms energy: -164.303712
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -43.150
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: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -517.526675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.526675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.526675 (E_RNA)
where:
Base-Base interactions energy: -351.966
where: short stacking energy: -144.476
Base-Backbone interact. energy: -0.771
local terms energy: -164.789530
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -478.594817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.594817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.594817 (E_RNA)
where:
Base-Base interactions energy: -323.707
where: short stacking energy: -137.925
Base-Backbone interact. energy: -0.173
local terms energy: -154.715139
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -44.009
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -415.848665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.848665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.848665 (E_RNA)
where:
Base-Base interactions energy: -276.430
where: short stacking energy: -115.810
Base-Backbone interact. energy: -0.197
local terms energy: -139.222599
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -26.454
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -29.941
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: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -379.635663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.635663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.635663 (E_RNA)
where:
Base-Base interactions energy: -239.748
where: short stacking energy: -124.684
Base-Backbone interact. energy: -0.245
local terms energy: -139.642387
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -31.033
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: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -343.667081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.667081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.667081 (E_RNA)
where:
Base-Base interactions energy: -219.914
where: short stacking energy: -86.489
Base-Backbone interact. energy: -0.491
local terms energy: -123.262287
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -24.205
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: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -242.715362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.715362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.715362 (E_RNA)
where:
Base-Base interactions energy: -127.792
where: short stacking energy: -68.035
Base-Backbone interact. energy: -1.237
local terms energy: -113.686280
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -24.631
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -148.507762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.507762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.507762 (E_RNA)
where:
Base-Base interactions energy: -63.462
where: short stacking energy: -49.914
Base-Backbone interact. energy: 0.385
local terms energy: -85.429988
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -142.795473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.795473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.795473 (E_RNA)
where:
Base-Base interactions energy: -54.242
where: short stacking energy: -44.643
Base-Backbone interact. energy: 2.416
local terms energy: -90.969978
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -0.366
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: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -543.767187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.767187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.767187 (E_RNA)
where:
Base-Base interactions energy: -366.077
where: short stacking energy: -155.696
Base-Backbone interact. energy: -1.035
local terms energy: -176.655158
where:
bonds (distance) C4'-P energy: -34.345
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -48.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -532.733564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.733564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.733564 (E_RNA)
where:
Base-Base interactions energy: -365.173
where: short stacking energy: -154.292
Base-Backbone interact. energy: -0.360
local terms energy: -167.200587
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -47.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -481.471401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.471401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.471401 (E_RNA)
where:
Base-Base interactions energy: -322.231
where: short stacking energy: -134.318
Base-Backbone interact. energy: -0.334
local terms energy: -158.906138
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -38.652
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: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -527.135272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.135272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.135272 (E_RNA)
where:
Base-Base interactions energy: -354.116
where: short stacking energy: -159.516
Base-Backbone interact. energy: -0.070
local terms energy: -172.948765
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -52.043
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: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -433.134259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.134259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.134259 (E_RNA)
where:
Base-Base interactions energy: -294.183
where: short stacking energy: -123.741
Base-Backbone interact. energy: 0.156
local terms energy: -139.106976
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -34.799
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: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -360.561644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.561644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.561644 (E_RNA)
where:
Base-Base interactions energy: -217.304
where: short stacking energy: -99.722
Base-Backbone interact. energy: -0.339
local terms energy: -142.919027
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -28.379
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: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -266.754491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.754491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.754491 (E_RNA)
where:
Base-Base interactions energy: -151.542
where: short stacking energy: -89.987
Base-Backbone interact. energy: -0.398
local terms energy: -114.814367
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -18.154
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: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -302.898158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.898158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.898158 (E_RNA)
where:
Base-Base interactions energy: -169.841
where: short stacking energy: -82.671
Base-Backbone interact. energy: -1.588
local terms energy: -131.469494
where:
bonds (distance) C4'-P energy: -32.613
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -21.715
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -159.743015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.743015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.743015 (E_RNA)
where:
Base-Base interactions energy: -52.492
where: short stacking energy: -33.492
Base-Backbone interact. energy: -0.480
local terms energy: -106.770722
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: 2.010
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: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -201.793014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793014 (E_RNA)
where:
Base-Base interactions energy: -105.034
where: short stacking energy: -60.878
Base-Backbone interact. energy: 0.842
local terms energy: -97.600294
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -4.215
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: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -554.087426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.087426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.087426 (E_RNA)
where:
Base-Base interactions energy: -376.851
where: short stacking energy: -168.878
Base-Backbone interact. energy: -0.741
local terms energy: -176.495947
where:
bonds (distance) C4'-P energy: -33.143
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -50.472
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: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -520.534760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.534760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.534760 (E_RNA)
where:
Base-Base interactions energy: -346.645
where: short stacking energy: -156.071
Base-Backbone interact. energy: -0.376
local terms energy: -173.513487
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -35.804
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -47.946
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: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -546.530867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.530867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.530867 (E_RNA)
where:
Base-Base interactions energy: -373.670
where: short stacking energy: -162.157
Base-Backbone interact. energy: -0.167
local terms energy: -172.693964
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -53.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -520.288732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.288732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.288732 (E_RNA)
where:
Base-Base interactions energy: -359.142
where: short stacking energy: -152.026
Base-Backbone interact. energy: -0.156
local terms energy: -160.990350
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -47.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -422.779228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.779228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.779228 (E_RNA)
where:
Base-Base interactions energy: -271.835
where: short stacking energy: -130.567
Base-Backbone interact. energy: -0.814
local terms energy: -150.129680
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -37.624
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: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -371.292614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.292614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.292614 (E_RNA)
where:
Base-Base interactions energy: -238.511
where: short stacking energy: -112.527
Base-Backbone interact. energy: 7.538
local terms energy: -140.320159
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -32.897
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: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -248.188686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.188686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.188686 (E_RNA)
where:
Base-Base interactions energy: -131.842
where: short stacking energy: -70.872
Base-Backbone interact. energy: 1.324
local terms energy: -117.670179
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -270.679673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.679673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.679673 (E_RNA)
where:
Base-Base interactions energy: -151.811
where: short stacking energy: -71.195
Base-Backbone interact. energy: 0.111
local terms energy: -118.978924
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -7.172
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: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -154.194693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.194693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.194693 (E_RNA)
where:
Base-Base interactions energy: -57.903
where: short stacking energy: -46.980
Base-Backbone interact. energy: -0.218
local terms energy: -96.073698
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -156.573659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.573659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.573659 (E_RNA)
where:
Base-Base interactions energy: -52.175
where: short stacking energy: -34.074
Base-Backbone interact. energy: 1.387
local terms energy: -105.785447
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -4.716
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: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -555.217334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.217334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.217334 (E_RNA)
where:
Base-Base interactions energy: -382.569
where: short stacking energy: -163.172
Base-Backbone interact. energy: 0.479
local terms energy: -173.127407
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -36.079
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -48.574
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: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -513.331630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.331630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.331630 (E_RNA)
where:
Base-Base interactions energy: -338.970
where: short stacking energy: -152.495
Base-Backbone interact. energy: -0.334
local terms energy: -174.027104
where:
bonds (distance) C4'-P energy: -32.982
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -36.447
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -45.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -530.576268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.576268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.576268 (E_RNA)
where:
Base-Base interactions energy: -357.979
where: short stacking energy: -159.232
Base-Backbone interact. energy: -0.127
local terms energy: -172.470482
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -35.910
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -48.358
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: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -527.488463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.488463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.488463 (E_RNA)
where:
Base-Base interactions energy: -355.658
where: short stacking energy: -149.669
Base-Backbone interact. energy: 0.470
local terms energy: -172.300824
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -49.763
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: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -428.651028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.651028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.651028 (E_RNA)
where:
Base-Base interactions energy: -283.520
where: short stacking energy: -128.461
Base-Backbone interact. energy: -1.150
local terms energy: -143.981103
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -35.282
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -30.472
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: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -353.930779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.930779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.930779 (E_RNA)
where:
Base-Base interactions energy: -217.800
where: short stacking energy: -94.375
Base-Backbone interact. energy: -0.205
local terms energy: -135.925920
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -320.320099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.320099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.320099 (E_RNA)
where:
Base-Base interactions energy: -183.912
where: short stacking energy: -86.369
Base-Backbone interact. energy: -0.955
local terms energy: -135.453094
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -266.407594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.407594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.407594 (E_RNA)
where:
Base-Base interactions energy: -139.901
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.048
local terms energy: -126.458020
where:
bonds (distance) C4'-P energy: -30.197
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -20.687
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: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -152.687975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.687975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.687975 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -41.000
Base-Backbone interact. energy: -1.334
local terms energy: -108.167788
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -17.325
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: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -157.541819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.541819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.541819 (E_RNA)
where:
Base-Base interactions energy: -58.628
where: short stacking energy: -44.082
Base-Backbone interact. energy: -0.741
local terms energy: -98.172741
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -16.836
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: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -550.623058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.623058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.623058 (E_RNA)
where:
Base-Base interactions energy: -379.790
where: short stacking energy: -162.982
Base-Backbone interact. energy: -0.818
local terms energy: -170.015064
where:
bonds (distance) C4'-P energy: -34.976
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -52.868
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: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -531.208883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.208883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.208883 (E_RNA)
where:
Base-Base interactions energy: -369.217
where: short stacking energy: -146.907
Base-Backbone interact. energy: -0.004
local terms energy: -161.987729
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: -44.611
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -494.869832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.869832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.869832 (E_RNA)
where:
Base-Base interactions energy: -348.113
where: short stacking energy: -152.273
Base-Backbone interact. energy: 2.042
local terms energy: -148.798775
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -41.838
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: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -530.542592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.542592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.542592 (E_RNA)
where:
Base-Base interactions energy: -358.457
where: short stacking energy: -158.331
Base-Backbone interact. energy: -0.696
local terms energy: -171.389175
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -47.282
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: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -409.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.157895 (E_RNA)
where:
Base-Base interactions energy: -275.192
where: short stacking energy: -127.618
Base-Backbone interact. energy: -0.529
local terms energy: -133.436359
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -32.484
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: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -349.084989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.084989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.084989 (E_RNA)
where:
Base-Base interactions energy: -208.817
where: short stacking energy: -95.734
Base-Backbone interact. energy: -0.261
local terms energy: -140.006600
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -24.957
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: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -300.914793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.914793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.914793 (E_RNA)
where:
Base-Base interactions energy: -189.354
where: short stacking energy: -95.380
Base-Backbone interact. energy: -1.045
local terms energy: -110.515157
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -9.586
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: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -290.039323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.039323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.039323 (E_RNA)
where:
Base-Base interactions energy: -168.431
where: short stacking energy: -80.835
Base-Backbone interact. energy: -0.728
local terms energy: -120.880152
where:
bonds (distance) C4'-P energy: -34.138
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -32.679
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -155.164108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.164108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.164108 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -37.797
Base-Backbone interact. energy: -1.797
local terms energy: -107.513361
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: 0.635
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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -161.777658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.777658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.777658 (E_RNA)
where:
Base-Base interactions energy: -52.185
where: short stacking energy: -49.781
Base-Backbone interact. energy: 0.551
local terms energy: -110.144477
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -7.311
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: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -540.811727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.811727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.811727 (E_RNA)
where:
Base-Base interactions energy: -362.250
where: short stacking energy: -164.428
Base-Backbone interact. energy: -3.032
local terms energy: -175.529535
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -50.117
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: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -532.921858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.921858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.921858 (E_RNA)
where:
Base-Base interactions energy: -367.152
where: short stacking energy: -149.388
Base-Backbone interact. energy: -0.872
local terms energy: -164.897722
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -48.764
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: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -539.262817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.262817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.262817 (E_RNA)
where:
Base-Base interactions energy: -355.455
where: short stacking energy: -163.726
Base-Backbone interact. energy: -0.647
local terms energy: -183.160981
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: -51.014
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: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -484.321540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.321540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.321540 (E_RNA)
where:
Base-Base interactions energy: -332.589
where: short stacking energy: -141.031
Base-Backbone interact. energy: -0.168
local terms energy: -151.564557
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -42.496
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: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -425.624390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.624390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.624390 (E_RNA)
where:
Base-Base interactions energy: -283.123
where: short stacking energy: -118.464
Base-Backbone interact. energy: -0.389
local terms energy: -142.112655
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -33.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -352.560602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.560602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.560602 (E_RNA)
where:
Base-Base interactions energy: -223.161
where: short stacking energy: -113.002
Base-Backbone interact. energy: -0.475
local terms energy: -128.924341
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -24.874
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: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -335.939663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.939663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.939663 (E_RNA)
where:
Base-Base interactions energy: -198.631
where: short stacking energy: -90.356
Base-Backbone interact. energy: 3.486
local terms energy: -140.793758
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -29.398
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: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -290.123632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.123632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.123632 (E_RNA)
where:
Base-Base interactions energy: -163.492
where: short stacking energy: -85.452
Base-Backbone interact. energy: -0.433
local terms energy: -126.198712
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -17.438
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: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -169.344808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.344808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344808 (E_RNA)
where:
Base-Base interactions energy: -79.438
where: short stacking energy: -45.971
Base-Backbone interact. energy: -0.206
local terms energy: -89.701560
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: 9.464
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: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -145.879125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.879125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.879125 (E_RNA)
where:
Base-Base interactions energy: -49.315
where: short stacking energy: -35.971
Base-Backbone interact. energy: -1.229
local terms energy: -95.335258
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -543.141344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.141344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.141344 (E_RNA)
where:
Base-Base interactions energy: -371.415
where: short stacking energy: -148.990
Base-Backbone interact. energy: -0.766
local terms energy: -170.960011
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -48.267
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: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -540.260043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.260043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.260043 (E_RNA)
where:
Base-Base interactions energy: -366.534
where: short stacking energy: -154.666
Base-Backbone interact. energy: 1.039
local terms energy: -174.765005
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -50.052
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: 159
Temperature: 1.000000
Total energy: -518.657328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.657328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.657328 (E_RNA)
where:
Base-Base interactions energy: -350.221
where: short stacking energy: -151.952
Base-Backbone interact. energy: 1.174
local terms energy: -169.610316
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: -47.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -429.422326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.422326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.422326 (E_RNA)
where:
Base-Base interactions energy: -281.141
where: short stacking energy: -116.548
Base-Backbone interact. energy: -0.356
local terms energy: -147.925134
where:
bonds (distance) C4'-P energy: -30.006
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -36.550
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: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -475.331483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.331483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.331483 (E_RNA)
where:
Base-Base interactions energy: -304.331
where: short stacking energy: -134.099
Base-Backbone interact. energy: 1.561
local terms energy: -172.561969
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -39.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -350.957378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.957378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.957378 (E_RNA)
where:
Base-Base interactions energy: -223.742
where: short stacking energy: -97.529
Base-Backbone interact. energy: 0.062
local terms energy: -127.277538
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -18.174
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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -349.220017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.220017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.220017 (E_RNA)
where:
Base-Base interactions energy: -227.504
where: short stacking energy: -102.115
Base-Backbone interact. energy: -0.665
local terms energy: -121.051786
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -22.242
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: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -283.566095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.566095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.566095 (E_RNA)
where:
Base-Base interactions energy: -167.298
where: short stacking energy: -79.133
Base-Backbone interact. energy: 0.010
local terms energy: -116.277596
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -16.174
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -197.378154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.378154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.378154 (E_RNA)
where:
Base-Base interactions energy: -88.114
where: short stacking energy: -46.329
Base-Backbone interact. energy: 0.156
local terms energy: -109.419709
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -149.360304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.360304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.360304 (E_RNA)
where:
Base-Base interactions energy: -49.052
where: short stacking energy: -41.727
Base-Backbone interact. energy: -1.212
local terms energy: -99.096217
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -29.543
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: 1.396
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: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -549.191756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.191756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.191756 (E_RNA)
where:
Base-Base interactions energy: -373.104
where: short stacking energy: -162.917
Base-Backbone interact. energy: -0.041
local terms energy: -176.047479
where:
bonds (distance) C4'-P energy: -33.250
bonds (distance) P-C4' energy: -37.278
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -26.027
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: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -522.540364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.540364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.540364 (E_RNA)
where:
Base-Base interactions energy: -339.802
where: short stacking energy: -155.630
Base-Backbone interact. energy: -0.253
local terms energy: -182.485308
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -51.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -524.745471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.745471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.745471 (E_RNA)
where:
Base-Base interactions energy: -354.650
where: short stacking energy: -145.799
Base-Backbone interact. energy: -0.728
local terms energy: -169.366757
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -48.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -426.836367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.836367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.836367 (E_RNA)
where:
Base-Base interactions energy: -274.513
where: short stacking energy: -129.148
Base-Backbone interact. energy: -0.650
local terms energy: -151.673249
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -37.506
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -34.844
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: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -467.198599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.198599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.198599 (E_RNA)
where:
Base-Base interactions energy: -295.788
where: short stacking energy: -131.033
Base-Backbone interact. energy: 0.764
local terms energy: -172.174989
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -41.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -405.441965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.441965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.441965 (E_RNA)
where:
Base-Base interactions energy: -268.245
where: short stacking energy: -120.162
Base-Backbone interact. energy: -1.616
local terms energy: -135.581607
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -31.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -368.312509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.312509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.312509 (E_RNA)
where:
Base-Base interactions energy: -231.509
where: short stacking energy: -97.826
Base-Backbone interact. energy: 0.429
local terms energy: -137.232247
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -31.431
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: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -284.557864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.557864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.557864 (E_RNA)
where:
Base-Base interactions energy: -160.123
where: short stacking energy: -83.552
Base-Backbone interact. energy: -0.306
local terms energy: -124.129000
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -19.926
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -224.488504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.488504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.488504 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.745
local terms energy: -110.117607
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -136.468158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.468158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.468158 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -37.141
Base-Backbone interact. energy: -0.157
local terms energy: -97.461478
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -0.516
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: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -562.122205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.122205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.122205 (E_RNA)
where:
Base-Base interactions energy: -379.956
where: short stacking energy: -153.953
Base-Backbone interact. energy: -0.215
local terms energy: -181.950977
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -36.879
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -27.862
tors. eta vs tors. theta energy: -48.825
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: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -556.193771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.193771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.193771 (E_RNA)
where:
Base-Base interactions energy: -382.865
where: short stacking energy: -156.327
Base-Backbone interact. energy: -0.010
local terms energy: -173.318505
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -49.957
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: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -499.274397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.274397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.274397 (E_RNA)
where:
Base-Base interactions energy: -336.804
where: short stacking energy: -141.664
Base-Backbone interact. energy: -1.017
local terms energy: -161.453111
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -43.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -485.091982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.091982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.091982 (E_RNA)
where:
Base-Base interactions energy: -335.704
where: short stacking energy: -141.865
Base-Backbone interact. energy: -0.951
local terms energy: -148.436555
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -43.373
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: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -430.484909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.484909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.484909 (E_RNA)
where:
Base-Base interactions energy: -280.663
where: short stacking energy: -129.989
Base-Backbone interact. energy: 0.052
local terms energy: -149.873674
where:
bonds (distance) C4'-P energy: -34.700
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -36.835
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: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -390.989694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.989694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.989694 (E_RNA)
where:
Base-Base interactions energy: -254.588
where: short stacking energy: -118.580
Base-Backbone interact. energy: -0.950
local terms energy: -135.451850
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -35.992
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: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -344.783019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.783019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.783019 (E_RNA)
where:
Base-Base interactions energy: -211.711
where: short stacking energy: -119.553
Base-Backbone interact. energy: 0.170
local terms energy: -133.241791
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -36.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -276.122567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.122567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.122567 (E_RNA)
where:
Base-Base interactions energy: -164.655
where: short stacking energy: -77.509
Base-Backbone interact. energy: -0.321
local terms energy: -111.146190
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -170.528185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528185 (E_RNA)
where:
Base-Base interactions energy: -76.446
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.184
local terms energy: -93.898126
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -1.807
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: 161
Temperature: 1.350000
Total energy: -137.981663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.981663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.981663 (E_RNA)
where:
Base-Base interactions energy: -51.774
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.486
local terms energy: -85.722179
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: 2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -554.703848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.703848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.703848 (E_RNA)
where:
Base-Base interactions energy: -385.222
where: short stacking energy: -156.484
Base-Backbone interact. energy: -0.237
local terms energy: -169.244128
where:
bonds (distance) C4'-P energy: -35.395
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -38.765
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -43.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -547.484128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.484128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.484128 (E_RNA)
where:
Base-Base interactions energy: -369.928
where: short stacking energy: -158.946
Base-Backbone interact. energy: -0.028
local terms energy: -177.527901
where:
bonds (distance) C4'-P energy: -37.240
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -48.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -487.746195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.746195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.746195 (E_RNA)
where:
Base-Base interactions energy: -328.094
where: short stacking energy: -147.658
Base-Backbone interact. energy: -0.255
local terms energy: -159.398114
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -43.385
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: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -497.251596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.251596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.251596 (E_RNA)
where:
Base-Base interactions energy: -329.954
where: short stacking energy: -130.315
Base-Backbone interact. energy: -0.285
local terms energy: -167.012805
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -37.942
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -41.823
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: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -460.015644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.015644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.015644 (E_RNA)
where:
Base-Base interactions energy: -297.199
where: short stacking energy: -130.235
Base-Backbone interact. energy: -0.213
local terms energy: -162.604101
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -32.060
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: -43.288
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: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -401.889350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.889350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.889350 (E_RNA)
where:
Base-Base interactions energy: -254.717
where: short stacking energy: -119.439
Base-Backbone interact. energy: -0.267
local terms energy: -146.905622
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -32.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -347.118315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.118315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.118315 (E_RNA)
where:
Base-Base interactions energy: -218.011
where: short stacking energy: -89.570
Base-Backbone interact. energy: 0.657
local terms energy: -129.764126
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -25.777
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: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -275.695306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.695306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.695306 (E_RNA)
where:
Base-Base interactions energy: -151.766
where: short stacking energy: -80.278
Base-Backbone interact. energy: -0.761
local terms energy: -123.168685
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -15.912
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: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -163.842283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.842283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.842283 (E_RNA)
where:
Base-Base interactions energy: -65.764
where: short stacking energy: -37.498
Base-Backbone interact. energy: 2.662
local terms energy: -100.739769
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -10.502
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: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -144.772622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.772622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.772622 (E_RNA)
where:
Base-Base interactions energy: -52.988
where: short stacking energy: -49.162
Base-Backbone interact. energy: -1.104
local terms energy: -90.680967
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -549.711941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.711941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.711941 (E_RNA)
where:
Base-Base interactions energy: -360.793
where: short stacking energy: -154.939
Base-Backbone interact. energy: -0.596
local terms energy: -188.322639
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -50.363
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: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -550.917744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.917744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.917744 (E_RNA)
where:
Base-Base interactions energy: -378.660
where: short stacking energy: -152.785
Base-Backbone interact. energy: -0.665
local terms energy: -171.592344
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -46.453
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: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -492.048891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.048891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.048891 (E_RNA)
where:
Base-Base interactions energy: -341.943
where: short stacking energy: -146.374
Base-Backbone interact. energy: 0.077
local terms energy: -150.182824
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -33.997
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -40.588
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -507.516615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.516615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.516615 (E_RNA)
where:
Base-Base interactions energy: -342.575
where: short stacking energy: -137.643
Base-Backbone interact. energy: -0.591
local terms energy: -164.350963
where:
bonds (distance) C4'-P energy: -35.470
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -39.224
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: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -451.008954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.008954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.008954 (E_RNA)
where:
Base-Base interactions energy: -302.850
where: short stacking energy: -143.379
Base-Backbone interact. energy: -0.356
local terms energy: -147.803660
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -40.183
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: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -413.136916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.136916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.136916 (E_RNA)
where:
Base-Base interactions energy: -262.825
where: short stacking energy: -119.124
Base-Backbone interact. energy: 0.262
local terms energy: -150.573895
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -39.860
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: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -341.389268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.389268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.389268 (E_RNA)
where:
Base-Base interactions energy: -210.854
where: short stacking energy: -97.039
Base-Backbone interact. energy: 0.141
local terms energy: -130.676540
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -28.131
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: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -259.324913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.324913 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -75.692
Base-Backbone interact. energy: 3.453
local terms energy: -126.002676
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -14.226
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: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -155.987862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.987862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.987862 (E_RNA)
where:
Base-Base interactions energy: -55.166
where: short stacking energy: -44.374
Base-Backbone interact. energy: 0.396
local terms energy: -101.217288
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -148.341932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.341932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.341932 (E_RNA)
where:
Base-Base interactions energy: -53.281
where: short stacking energy: -35.196
Base-Backbone interact. energy: -2.201
local terms energy: -92.860325
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: 6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -559.074308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.074308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.074308 (E_RNA)
where:
Base-Base interactions energy: -384.875
where: short stacking energy: -158.240
Base-Backbone interact. energy: 0.277
local terms energy: -174.476103
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -39.320
flat angles P-C4'-P energy: -26.449
tors. eta vs tors. theta energy: -45.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -536.697601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.697601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.697601 (E_RNA)
where:
Base-Base interactions energy: -382.729
where: short stacking energy: -152.152
Base-Backbone interact. energy: -0.218
local terms energy: -153.750191
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -45.279
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: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -490.405706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.405706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.405706 (E_RNA)
where:
Base-Base interactions energy: -344.701
where: short stacking energy: -146.403
Base-Backbone interact. energy: -1.240
local terms energy: -144.464914
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -43.054
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: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -521.798231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.798231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.798231 (E_RNA)
where:
Base-Base interactions energy: -362.801
where: short stacking energy: -156.071
Base-Backbone interact. energy: 0.323
local terms energy: -159.320675
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -44.493
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: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -424.506040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.506040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.506040 (E_RNA)
where:
Base-Base interactions energy: -278.431
where: short stacking energy: -122.805
Base-Backbone interact. energy: 0.505
local terms energy: -146.580122
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -32.688
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: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -394.277149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.277149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.277149 (E_RNA)
where:
Base-Base interactions energy: -263.702
where: short stacking energy: -113.843
Base-Backbone interact. energy: -0.522
local terms energy: -130.052814
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -29.001
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -349.566304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.566304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.566304 (E_RNA)
where:
Base-Base interactions energy: -217.404
where: short stacking energy: -91.487
Base-Backbone interact. energy: 2.379
local terms energy: -134.541169
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -23.822
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -280.599400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.599400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.599400 (E_RNA)
where:
Base-Base interactions energy: -153.517
where: short stacking energy: -83.916
Base-Backbone interact. energy: -0.784
local terms energy: -126.298677
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -20.570
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: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -149.247213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.247213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.247213 (E_RNA)
where:
Base-Base interactions energy: -58.958
where: short stacking energy: -38.351
Base-Backbone interact. energy: -2.704
local terms energy: -87.585020
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -0.293
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -148.128066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.128066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.128066 (E_RNA)
where:
Base-Base interactions energy: -54.440
where: short stacking energy: -48.221
Base-Backbone interact. energy: 0.366
local terms energy: -94.054175
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -11.623
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: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -547.380151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.380151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.380151 (E_RNA)
where:
Base-Base interactions energy: -373.552
where: short stacking energy: -152.304
Base-Backbone interact. energy: -0.064
local terms energy: -173.764083
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -48.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -507.142679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.142679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.142679 (E_RNA)
where:
Base-Base interactions energy: -341.780
where: short stacking energy: -153.900
Base-Backbone interact. energy: -0.839
local terms energy: -164.523852
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -47.097
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: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -542.781078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.781078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.781078 (E_RNA)
where:
Base-Base interactions energy: -368.098
where: short stacking energy: -155.209
Base-Backbone interact. energy: 0.130
local terms energy: -174.813276
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -48.270
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: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -521.868784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.868784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.868784 (E_RNA)
where:
Base-Base interactions energy: -349.699
where: short stacking energy: -158.021
Base-Backbone interact. energy: -0.041
local terms energy: -172.129389
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -48.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -405.524093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.524093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.524093 (E_RNA)
where:
Base-Base interactions energy: -256.388
where: short stacking energy: -113.487
Base-Backbone interact. energy: -0.847
local terms energy: -148.289187
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -33.590
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -418.757212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.757212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.757212 (E_RNA)
where:
Base-Base interactions energy: -269.016
where: short stacking energy: -121.413
Base-Backbone interact. energy: -1.296
local terms energy: -148.445325
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -28.245
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -38.678
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: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -360.846533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.846533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.846533 (E_RNA)
where:
Base-Base interactions energy: -234.702
where: short stacking energy: -115.667
Base-Backbone interact. energy: 0.387
local terms energy: -126.532184
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -24.762
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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -259.998007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.998007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.998007 (E_RNA)
where:
Base-Base interactions energy: -136.565
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.144
local terms energy: -123.289557
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -11.356
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -174.279862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.279862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.279862 (E_RNA)
where:
Base-Base interactions energy: -70.091
where: short stacking energy: -62.196
Base-Backbone interact. energy: 0.669
local terms energy: -104.858388
where:
bonds (distance) C4'-P energy: -31.012
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -7.290
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: 165
Temperature: 1.350000
Total energy: -138.244360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.244360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.244360 (E_RNA)
where:
Base-Base interactions energy: -57.032
where: short stacking energy: -48.863
Base-Backbone interact. energy: -1.474
local terms energy: -79.738583
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -13.815
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: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -537.882880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.882880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.882880 (E_RNA)
where:
Base-Base interactions energy: -364.970
where: short stacking energy: -160.578
Base-Backbone interact. energy: -0.172
local terms energy: -172.741124
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -50.849
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: 166
Temperature: 0.950000
Total energy: -513.087540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.087540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.087540 (E_RNA)
where:
Base-Base interactions energy: -337.074
where: short stacking energy: -156.014
Base-Backbone interact. energy: -0.409
local terms energy: -175.604663
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -40.639
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -40.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -520.191339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.191339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.191339 (E_RNA)
where:
Base-Base interactions energy: -347.244
where: short stacking energy: -154.832
Base-Backbone interact. energy: -0.132
local terms energy: -172.814693
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -46.450
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: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -508.715424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.715424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.715424 (E_RNA)
where:
Base-Base interactions energy: -355.656
where: short stacking energy: -157.676
Base-Backbone interact. energy: 2.341
local terms energy: -155.399627
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -45.283
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: 166
Temperature: 1.100000
Total energy: -409.031955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.031955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.031955 (E_RNA)
where:
Base-Base interactions energy: -252.102
where: short stacking energy: -128.865
Base-Backbone interact. energy: -0.817
local terms energy: -156.113609
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -39.485
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: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -420.465385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.465385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.465385 (E_RNA)
where:
Base-Base interactions energy: -277.460
where: short stacking energy: -124.833
Base-Backbone interact. energy: -1.065
local terms energy: -141.940463
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -32.354
flat angles P-C4'-P energy: -19.865
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: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -357.802547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.802547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.802547 (E_RNA)
where:
Base-Base interactions energy: -208.249
where: short stacking energy: -104.993
Base-Backbone interact. energy: -1.312
local terms energy: -148.242226
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -30.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -275.006558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.006558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.006558 (E_RNA)
where:
Base-Base interactions energy: -158.283
where: short stacking energy: -63.849
Base-Backbone interact. energy: 0.073
local terms energy: -116.796551
where:
bonds (distance) C4'-P energy: -34.274
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -4.984
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: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -159.752190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.752190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.752190 (E_RNA)
where:
Base-Base interactions energy: -57.137
where: short stacking energy: -40.156
Base-Backbone interact. energy: -0.735
local terms energy: -101.879830
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -1.464
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: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -136.987391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.987391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.987391 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -36.541
Base-Backbone interact. energy: 0.086
local terms energy: -98.203653
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -545.605004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.605004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.605004 (E_RNA)
where:
Base-Base interactions energy: -371.228
where: short stacking energy: -166.444
Base-Backbone interact. energy: -0.131
local terms energy: -174.246392
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -21.046
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: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -537.864569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.864569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.864569 (E_RNA)
where:
Base-Base interactions energy: -367.501
where: short stacking energy: -157.714
Base-Backbone interact. energy: -0.221
local terms energy: -170.142834
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -38.673
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -45.942
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: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -485.104898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.104898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.104898 (E_RNA)
where:
Base-Base interactions energy: -322.319
where: short stacking energy: -145.895
Base-Backbone interact. energy: -0.314
local terms energy: -162.472285
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -41.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -519.910826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.910826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.910826 (E_RNA)
where:
Base-Base interactions energy: -351.910
where: short stacking energy: -159.629
Base-Backbone interact. energy: -0.292
local terms energy: -167.708217
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -47.148
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: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -431.661799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.661799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.661799 (E_RNA)
where:
Base-Base interactions energy: -265.370
where: short stacking energy: -127.521
Base-Backbone interact. energy: -0.493
local terms energy: -165.798891
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -35.489
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -40.195
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -417.871230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.871230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.871230 (E_RNA)
where:
Base-Base interactions energy: -278.003
where: short stacking energy: -106.483
Base-Backbone interact. energy: -0.905
local terms energy: -138.963053
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -29.237
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: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -347.111159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.111159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.111159 (E_RNA)
where:
Base-Base interactions energy: -223.170
where: short stacking energy: -96.363
Base-Backbone interact. energy: -0.304
local terms energy: -123.637095
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -21.951
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: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -284.704573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.704573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.704573 (E_RNA)
where:
Base-Base interactions energy: -172.020
where: short stacking energy: -79.778
Base-Backbone interact. energy: -1.315
local terms energy: -111.369135
where:
bonds (distance) C4'-P energy: -25.731
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -20.412
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -175.635584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.635584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.635584 (E_RNA)
where:
Base-Base interactions energy: -68.315
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.447
local terms energy: -106.874105
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -138.603743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.603743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.603743 (E_RNA)
where:
Base-Base interactions energy: -43.098
where: short stacking energy: -36.348
Base-Backbone interact. energy: 0.099
local terms energy: -95.604213
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: 4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -554.857461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.857461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.857461 (E_RNA)
where:
Base-Base interactions energy: -373.814
where: short stacking energy: -155.419
Base-Backbone interact. energy: -1.900
local terms energy: -179.143826
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -29.584
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -525.774684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.774684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.774684 (E_RNA)
where:
Base-Base interactions energy: -365.147
where: short stacking energy: -160.329
Base-Backbone interact. energy: -0.224
local terms energy: -160.404147
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -46.555
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: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -516.392491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.392491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.392491 (E_RNA)
where:
Base-Base interactions energy: -346.959
where: short stacking energy: -148.316
Base-Backbone interact. energy: -0.616
local terms energy: -168.817513
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: -50.738
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: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -486.502349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.502349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.502349 (E_RNA)
where:
Base-Base interactions energy: -320.808
where: short stacking energy: -147.572
Base-Backbone interact. energy: -0.425
local terms energy: -165.268572
where:
bonds (distance) C4'-P energy: -35.314
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -47.238
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: 168
Temperature: 1.100000
Total energy: -430.264610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.264610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.264610 (E_RNA)
where:
Base-Base interactions energy: -288.852
where: short stacking energy: -123.035
Base-Backbone interact. energy: -1.414
local terms energy: -139.998683
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -30.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -407.680489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.680489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.680489 (E_RNA)
where:
Base-Base interactions energy: -260.950
where: short stacking energy: -117.631
Base-Backbone interact. energy: -1.080
local terms energy: -145.650809
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -30.321
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -32.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -268.748548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.748548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.748548 (E_RNA)
where:
Base-Base interactions energy: -153.616
where: short stacking energy: -77.909
Base-Backbone interact. energy: -0.365
local terms energy: -114.767294
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -287.394315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.394315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.394315 (E_RNA)
where:
Base-Base interactions energy: -181.808
where: short stacking energy: -83.115
Base-Backbone interact. energy: -0.987
local terms energy: -104.599360
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -19.799
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: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -156.705936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.705936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.705936 (E_RNA)
where:
Base-Base interactions energy: -68.804
where: short stacking energy: -50.502
Base-Backbone interact. energy: -0.105
local terms energy: -87.795997
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -2.172
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: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -144.820765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.820765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.820765 (E_RNA)
where:
Base-Base interactions energy: -52.753
where: short stacking energy: -45.258
Base-Backbone interact. energy: -0.369
local terms energy: -91.699176
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -0.827
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: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -549.869725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.869725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.869725 (E_RNA)
where:
Base-Base interactions energy: -365.954
where: short stacking energy: -152.526
Base-Backbone interact. energy: -0.689
local terms energy: -183.226442
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -39.725
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -45.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -538.173605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.173605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.173605 (E_RNA)
where:
Base-Base interactions energy: -360.400
where: short stacking energy: -162.187
Base-Backbone interact. energy: -1.148
local terms energy: -176.626169
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -31.642
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -49.535
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: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -512.261225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.261225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.261225 (E_RNA)
where:
Base-Base interactions energy: -353.571
where: short stacking energy: -141.308
Base-Backbone interact. energy: -0.243
local terms energy: -158.447667
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -36.804
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -39.005
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: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -476.976205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.976205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.976205 (E_RNA)
where:
Base-Base interactions energy: -326.508
where: short stacking energy: -147.388
Base-Backbone interact. energy: 1.137
local terms energy: -151.604671
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -38.945
flat angles P-C4'-P energy: -27.983
tors. eta vs tors. theta energy: -40.960
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: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -435.399511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.399511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.399511 (E_RNA)
where:
Base-Base interactions energy: -284.856
where: short stacking energy: -114.621
Base-Backbone interact. energy: -1.084
local terms energy: -149.459069
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -34.941
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -31.590
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: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -398.041521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.041521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.041521 (E_RNA)
where:
Base-Base interactions energy: -248.396
where: short stacking energy: -109.960
Base-Backbone interact. energy: -0.175
local terms energy: -149.470457
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -32.377
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -310.125438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.125438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.125438 (E_RNA)
where:
Base-Base interactions energy: -184.263
where: short stacking energy: -91.866
Base-Backbone interact. energy: -0.338
local terms energy: -125.524874
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -33.536
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -18.988
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: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -279.609551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.609551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.609551 (E_RNA)
where:
Base-Base interactions energy: -151.452
where: short stacking energy: -63.243
Base-Backbone interact. energy: -1.432
local terms energy: -126.725059
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -163.085343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.085343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.085343 (E_RNA)
where:
Base-Base interactions energy: -81.007
where: short stacking energy: -47.577
Base-Backbone interact. energy: -0.757
local terms energy: -81.321510
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -1.648
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: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -157.412698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.412698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.412698 (E_RNA)
where:
Base-Base interactions energy: -63.294
where: short stacking energy: -31.141
Base-Backbone interact. energy: -1.397
local terms energy: -92.721554
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: 4.423
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: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -544.890901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.890901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.890901 (E_RNA)
where:
Base-Base interactions energy: -373.525
where: short stacking energy: -148.056
Base-Backbone interact. energy: -0.533
local terms energy: -170.833002
where:
bonds (distance) C4'-P energy: -29.433
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -44.997
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: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -532.200671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.200671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.200671 (E_RNA)
where:
Base-Base interactions energy: -363.843
where: short stacking energy: -144.827
Base-Backbone interact. energy: -0.111
local terms energy: -168.246139
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -26.173
tors. eta vs tors. theta energy: -41.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -529.358323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.358323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.358323 (E_RNA)
where:
Base-Base interactions energy: -362.571
where: short stacking energy: -152.345
Base-Backbone interact. energy: -0.282
local terms energy: -166.505967
where:
bonds (distance) C4'-P energy: -29.126
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -48.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -485.596478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.596478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.596478 (E_RNA)
where:
Base-Base interactions energy: -332.686
where: short stacking energy: -149.640
Base-Backbone interact. energy: -0.956
local terms energy: -151.954063
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -42.291
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: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -444.297293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.297293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.297293 (E_RNA)
where:
Base-Base interactions energy: -294.612
where: short stacking energy: -124.281
Base-Backbone interact. energy: 0.142
local terms energy: -149.827728
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -37.313
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: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -394.015021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.015021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.015021 (E_RNA)
where:
Base-Base interactions energy: -256.974
where: short stacking energy: -122.451
Base-Backbone interact. energy: -0.510
local terms energy: -136.530626
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -29.722
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: 170
Temperature: 1.200000
Total energy: -325.117138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.117138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.117138 (E_RNA)
where:
Base-Base interactions energy: -204.580
where: short stacking energy: -92.074
Base-Backbone interact. energy: -0.329
local terms energy: -120.207628
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -21.430
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: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -288.229098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.229098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.229098 (E_RNA)
where:
Base-Base interactions energy: -174.676
where: short stacking energy: -92.300
Base-Backbone interact. energy: 0.514
local terms energy: -114.067392
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -19.832
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -154.056327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.056327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.056327 (E_RNA)
where:
Base-Base interactions energy: -72.100
where: short stacking energy: -39.230
Base-Backbone interact. energy: 0.136
local terms energy: -82.092000
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: 6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -165.607716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.607716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.607716 (E_RNA)
where:
Base-Base interactions energy: -71.538
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.412
local terms energy: -93.658067
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -0.329
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: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -553.791064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.791064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.791064 (E_RNA)
where:
Base-Base interactions energy: -379.814
where: short stacking energy: -168.527
Base-Backbone interact. energy: -0.375
local terms energy: -173.602034
where:
bonds (distance) C4'-P energy: -34.300
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -48.324
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: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -545.271616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.271616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.271616 (E_RNA)
where:
Base-Base interactions energy: -374.381
where: short stacking energy: -155.480
Base-Backbone interact. energy: -0.093
local terms energy: -170.797838
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: -48.976
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: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -520.675228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.675228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.675228 (E_RNA)
where:
Base-Base interactions energy: -362.081
where: short stacking energy: -164.985
Base-Backbone interact. energy: -0.039
local terms energy: -158.555371
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -46.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -469.086877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.086877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.086877 (E_RNA)
where:
Base-Base interactions energy: -320.322
where: short stacking energy: -140.491
Base-Backbone interact. energy: -0.224
local terms energy: -148.541176
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -32.595
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -35.912
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: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -429.591771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.591771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.591771 (E_RNA)
where:
Base-Base interactions energy: -284.290
where: short stacking energy: -125.992
Base-Backbone interact. energy: -0.310
local terms energy: -144.992247
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -33.932
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: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -385.269677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.269677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.269677 (E_RNA)
where:
Base-Base interactions energy: -251.490
where: short stacking energy: -123.718
Base-Backbone interact. energy: 0.981
local terms energy: -134.760181
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -28.855
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: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -300.054972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.054972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.054972 (E_RNA)
where:
Base-Base interactions energy: -179.594
where: short stacking energy: -89.327
Base-Backbone interact. energy: -0.659
local terms energy: -119.802420
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -20.504
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -273.068796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.068796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.068796 (E_RNA)
where:
Base-Base interactions energy: -149.807
where: short stacking energy: -80.148
Base-Backbone interact. energy: -0.256
local terms energy: -123.005837
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -13.984
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: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -164.508193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.508193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.508193 (E_RNA)
where:
Base-Base interactions energy: -60.978
where: short stacking energy: -40.168
Base-Backbone interact. energy: 1.184
local terms energy: -104.714186
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -22.042
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: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -141.750356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.750356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.750356 (E_RNA)
where:
Base-Base interactions energy: -50.045
where: short stacking energy: -48.522
Base-Backbone interact. energy: 1.255
local terms energy: -92.960431
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -32.358
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: 5.546
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: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -554.613643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.613643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.613643 (E_RNA)
where:
Base-Base interactions energy: -381.766
where: short stacking energy: -158.262
Base-Backbone interact. energy: -0.207
local terms energy: -172.641578
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -47.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -533.851167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.851167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.851167 (E_RNA)
where:
Base-Base interactions energy: -357.806
where: short stacking energy: -150.204
Base-Backbone interact. energy: 1.218
local terms energy: -177.263481
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -39.980
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -43.091
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: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -533.187396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.187396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.187396 (E_RNA)
where:
Base-Base interactions energy: -357.827
where: short stacking energy: -165.561
Base-Backbone interact. energy: -0.049
local terms energy: -175.311307
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -39.387
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -47.256
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: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -459.162084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.162084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.162084 (E_RNA)
where:
Base-Base interactions energy: -299.285
where: short stacking energy: -133.684
Base-Backbone interact. energy: -0.674
local terms energy: -159.203383
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -33.427
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -41.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -404.881801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.881801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.881801 (E_RNA)
where:
Base-Base interactions energy: -266.404
where: short stacking energy: -120.321
Base-Backbone interact. energy: -0.356
local terms energy: -138.121879
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -427.408045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.408045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.408045 (E_RNA)
where:
Base-Base interactions energy: -280.754
where: short stacking energy: -113.384
Base-Backbone interact. energy: -0.856
local terms energy: -145.797847
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -39.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -316.894576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.894576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.894576 (E_RNA)
where:
Base-Base interactions energy: -186.739
where: short stacking energy: -82.831
Base-Backbone interact. energy: -0.797
local terms energy: -129.358704
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -27.103
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -19.994
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: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -303.695107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.695107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.695107 (E_RNA)
where:
Base-Base interactions energy: -195.670
where: short stacking energy: -93.998
Base-Backbone interact. energy: 1.722
local terms energy: -109.747816
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -19.150
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: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -149.446383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.446383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.446383 (E_RNA)
where:
Base-Base interactions energy: -49.292
where: short stacking energy: -45.792
Base-Backbone interact. energy: -0.302
local terms energy: -99.852530
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -154.024266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.024266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.024266 (E_RNA)
where:
Base-Base interactions energy: -47.450
where: short stacking energy: -43.404
Base-Backbone interact. energy: 4.019
local terms energy: -110.592888
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -32.091
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -2.349
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: 173
Temperature: 0.900000
Total energy: -556.911282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.911282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.911282 (E_RNA)
where:
Base-Base interactions energy: -391.290
where: short stacking energy: -161.470
Base-Backbone interact. energy: -1.056
local terms energy: -164.565274
where:
bonds (distance) C4'-P energy: -32.426
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -35.139
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -47.859
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -530.988592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.988592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.988592 (E_RNA)
where:
Base-Base interactions energy: -358.631
where: short stacking energy: -144.340
Base-Backbone interact. energy: -0.267
local terms energy: -172.090948
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -25.679
tors. eta vs tors. theta energy: -47.908
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: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -523.541379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.541379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.541379 (E_RNA)
where:
Base-Base interactions energy: -354.380
where: short stacking energy: -154.543
Base-Backbone interact. energy: -0.546
local terms energy: -168.615916
where:
bonds (distance) C4'-P energy: -29.302
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -50.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -455.365456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.365456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.365456 (E_RNA)
where:
Base-Base interactions energy: -309.659
where: short stacking energy: -135.363
Base-Backbone interact. energy: -0.326
local terms energy: -145.380286
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -36.041
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -34.856
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: 173
Temperature: 1.100000
Total energy: -415.378853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.378853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.378853 (E_RNA)
where:
Base-Base interactions energy: -259.690
where: short stacking energy: -111.432
Base-Backbone interact. energy: -1.118
local terms energy: -154.571029
where:
bonds (distance) C4'-P energy: -34.936
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -32.771
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -443.973261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.973261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.973261 (E_RNA)
where:
Base-Base interactions energy: -284.920
where: short stacking energy: -139.341
Base-Backbone interact. energy: -1.083
local terms energy: -157.970495
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -41.134
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: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -281.085070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.085070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.085070 (E_RNA)
where:
Base-Base interactions energy: -157.744
where: short stacking energy: -87.863
Base-Backbone interact. energy: -0.531
local terms energy: -122.809289
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -16.423
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: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -295.876619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.876619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.876619 (E_RNA)
where:
Base-Base interactions energy: -174.839
where: short stacking energy: -88.237
Base-Backbone interact. energy: -1.128
local terms energy: -119.909066
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -26.017
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: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -162.461614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.461614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.461614 (E_RNA)
where:
Base-Base interactions energy: -56.072
where: short stacking energy: -44.746
Base-Backbone interact. energy: -0.205
local terms energy: -106.185344
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -34.732
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -2.272
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: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -151.716999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.716999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.716999 (E_RNA)
where:
Base-Base interactions energy: -56.042
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.335
local terms energy: -95.340294
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -2.590
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: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -563.591446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.591446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.591446 (E_RNA)
where:
Base-Base interactions energy: -389.065
where: short stacking energy: -163.280
Base-Backbone interact. energy: 0.372
local terms energy: -174.898263
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -37.165
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -49.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -526.198741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.198741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.198741 (E_RNA)
where:
Base-Base interactions energy: -368.666
where: short stacking energy: -141.415
Base-Backbone interact. energy: -0.167
local terms energy: -157.365322
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -37.317
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: 174
Temperature: 1.000000
Total energy: -539.708650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.708650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.708650 (E_RNA)
where:
Base-Base interactions energy: -360.589
where: short stacking energy: -155.656
Base-Backbone interact. energy: -0.061
local terms energy: -179.058572
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -47.406
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: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -453.184527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.184527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.184527 (E_RNA)
where:
Base-Base interactions energy: -297.408
where: short stacking energy: -123.043
Base-Backbone interact. energy: -0.415
local terms energy: -155.361187
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -39.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -427.374386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.374386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.374386 (E_RNA)
where:
Base-Base interactions energy: -281.562
where: short stacking energy: -136.073
Base-Backbone interact. energy: -0.100
local terms energy: -145.712539
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -35.020
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: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -402.522006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.522006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.522006 (E_RNA)
where:
Base-Base interactions energy: -248.653
where: short stacking energy: -122.596
Base-Backbone interact. energy: -0.676
local terms energy: -153.193191
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -37.284
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -38.253
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: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -294.816845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.816845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.816845 (E_RNA)
where:
Base-Base interactions energy: -172.084
where: short stacking energy: -85.831
Base-Backbone interact. energy: -1.214
local terms energy: -121.518282
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -20.956
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: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -276.623927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.623927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.623927 (E_RNA)
where:
Base-Base interactions energy: -159.913
where: short stacking energy: -72.418
Base-Backbone interact. energy: -1.365
local terms energy: -115.345671
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -171.802922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.802922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.802922 (E_RNA)
where:
Base-Base interactions energy: -83.853
where: short stacking energy: -50.935
Base-Backbone interact. energy: -2.043
local terms energy: -85.907517
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -20.324
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: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -149.358809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.358809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.358809 (E_RNA)
where:
Base-Base interactions energy: -51.404
where: short stacking energy: -41.963
Base-Backbone interact. energy: -1.058
local terms energy: -96.896931
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: 1.523
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: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -552.391067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.391067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.391067 (E_RNA)
where:
Base-Base interactions energy: -375.915
where: short stacking energy: -154.156
Base-Backbone interact. energy: -0.723
local terms energy: -175.752714
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -42.177
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -44.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -532.089455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.089455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.089455 (E_RNA)
where:
Base-Base interactions energy: -356.968
where: short stacking energy: -157.044
Base-Backbone interact. energy: -0.102
local terms energy: -175.019581
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -23.060
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -534.898953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.898953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.898953 (E_RNA)
where:
Base-Base interactions energy: -366.779
where: short stacking energy: -157.153
Base-Backbone interact. energy: -0.082
local terms energy: -168.038377
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -47.596
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: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -452.009379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.009379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.009379 (E_RNA)
where:
Base-Base interactions energy: -304.156
where: short stacking energy: -131.337
Base-Backbone interact. energy: 0.180
local terms energy: -148.033313
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -38.043
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: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -439.377821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.377821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.377821 (E_RNA)
where:
Base-Base interactions energy: -280.159
where: short stacking energy: -120.577
Base-Backbone interact. energy: -0.803
local terms energy: -158.415763
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -35.155
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: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -364.693478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.693478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.693478 (E_RNA)
where:
Base-Base interactions energy: -238.294
where: short stacking energy: -105.858
Base-Backbone interact. energy: -0.421
local terms energy: -125.978807
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -322.910635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.910635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.910635 (E_RNA)
where:
Base-Base interactions energy: -203.215
where: short stacking energy: -113.050
Base-Backbone interact. energy: -1.659
local terms energy: -118.036633
where:
bonds (distance) C4'-P energy: -27.960
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -27.383
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: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -163.269386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.269386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269386 (E_RNA)
where:
Base-Base interactions energy: -64.331
where: short stacking energy: -49.763
Base-Backbone interact. energy: 2.247
local terms energy: -101.185504
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -254.853650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.853650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.853650 (E_RNA)
where:
Base-Base interactions energy: -153.349
where: short stacking energy: -76.300
Base-Backbone interact. energy: -0.245
local terms energy: -101.259279
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -12.889
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: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -143.357079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.357079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.357079 (E_RNA)
where:
Base-Base interactions energy: -51.675
where: short stacking energy: -51.010
Base-Backbone interact. energy: 1.638
local terms energy: -93.319796
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: 3.993
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -536.439489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.439489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.439489 (E_RNA)
where:
Base-Base interactions energy: -354.871
where: short stacking energy: -155.741
Base-Backbone interact. energy: -0.196
local terms energy: -181.372443
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -46.718
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -543.909115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.909115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.909115 (E_RNA)
where:
Base-Base interactions energy: -368.628
where: short stacking energy: -154.296
Base-Backbone interact. energy: -0.323
local terms energy: -174.957176
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: -47.691
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: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -529.555078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.555078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.555078 (E_RNA)
where:
Base-Base interactions energy: -356.730
where: short stacking energy: -155.056
Base-Backbone interact. energy: 0.832
local terms energy: -173.656942
where:
bonds (distance) C4'-P energy: -36.738
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -49.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -460.767864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.767864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.767864 (E_RNA)
where:
Base-Base interactions energy: -306.728
where: short stacking energy: -136.359
Base-Backbone interact. energy: -0.252
local terms energy: -153.788260
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -38.695
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -35.108
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: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -443.699404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.699404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.699404 (E_RNA)
where:
Base-Base interactions energy: -294.600
where: short stacking energy: -129.284
Base-Backbone interact. energy: -0.441
local terms energy: -148.657966
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -35.754
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: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -386.706624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.706624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.706624 (E_RNA)
where:
Base-Base interactions energy: -253.350
where: short stacking energy: -118.595
Base-Backbone interact. energy: -0.137
local terms energy: -133.220141
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -34.041
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -305.455042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.455042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.455042 (E_RNA)
where:
Base-Base interactions energy: -179.045
where: short stacking energy: -94.320
Base-Backbone interact. energy: -0.896
local terms energy: -125.513833
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -22.691
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: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -190.388507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.388507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.388507 (E_RNA)
where:
Base-Base interactions energy: -75.377
where: short stacking energy: -57.521
Base-Backbone interact. energy: -3.321
local terms energy: -111.690651
where:
bonds (distance) C4'-P energy: -34.672
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -2.118
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: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -259.582770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.582770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.582770 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.490
local terms energy: -99.137863
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -4.010
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: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -142.155518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155518 (E_RNA)
where:
Base-Base interactions energy: -48.983
where: short stacking energy: -37.007
Base-Backbone interact. energy: 1.482
local terms energy: -94.655028
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: 3.891
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: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -541.563946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.563946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.563946 (E_RNA)
where:
Base-Base interactions energy: -373.074
where: short stacking energy: -165.845
Base-Backbone interact. energy: -0.015
local terms energy: -168.475062
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -48.564
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: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -535.723080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.723080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.723080 (E_RNA)
where:
Base-Base interactions energy: -361.608
where: short stacking energy: -152.484
Base-Backbone interact. energy: -0.048
local terms energy: -174.066381
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -35.807
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -48.492
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -523.185807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.185807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.185807 (E_RNA)
where:
Base-Base interactions energy: -363.666
where: short stacking energy: -164.118
Base-Backbone interact. energy: -0.155
local terms energy: -159.364327
where:
bonds (distance) C4'-P energy: -33.762
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -48.681
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: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -463.894479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.894479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.894479 (E_RNA)
where:
Base-Base interactions energy: -303.389
where: short stacking energy: -125.771
Base-Backbone interact. energy: -0.638
local terms energy: -159.867391
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -33.119
flat angles C4'-P-C4' energy: -38.596
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -41.534
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: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -430.461011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.461011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.461011 (E_RNA)
where:
Base-Base interactions energy: -283.065
where: short stacking energy: -120.895
Base-Backbone interact. energy: -1.269
local terms energy: -146.127125
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -33.804
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -35.183
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: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -406.352663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.352663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.352663 (E_RNA)
where:
Base-Base interactions energy: -270.711
where: short stacking energy: -135.462
Base-Backbone interact. energy: -0.928
local terms energy: -134.713521
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -37.544
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -35.892
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: 177
Temperature: 1.200000
Total energy: -307.387321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.387321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.387321 (E_RNA)
where:
Base-Base interactions energy: -184.097
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.271
local terms energy: -123.019186
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -31.684
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -16.991
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: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -259.820226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.820226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.820226 (E_RNA)
where:
Base-Base interactions energy: -152.844
where: short stacking energy: -93.200
Base-Backbone interact. energy: -0.163
local terms energy: -106.813138
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -20.556
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: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -138.466663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.466663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.466663 (E_RNA)
where:
Base-Base interactions energy: -39.068
where: short stacking energy: -31.039
Base-Backbone interact. energy: -0.589
local terms energy: -98.810490
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -1.261
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: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -138.302113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.302113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.302113 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -38.222
Base-Backbone interact. energy: -0.458
local terms energy: -94.800242
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -14.385
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -548.323935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.323935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.323935 (E_RNA)
where:
Base-Base interactions energy: -376.716
where: short stacking energy: -159.306
Base-Backbone interact. energy: -0.029
local terms energy: -171.579232
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -50.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -539.420036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.420036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.420036 (E_RNA)
where:
Base-Base interactions energy: -369.944
where: short stacking energy: -154.280
Base-Backbone interact. energy: -0.028
local terms energy: -169.447839
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -49.012
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: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -532.802546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.802546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.802546 (E_RNA)
where:
Base-Base interactions energy: -377.454
where: short stacking energy: -153.197
Base-Backbone interact. energy: -0.626
local terms energy: -154.722874
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -47.295
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -476.183334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.183334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.183334 (E_RNA)
where:
Base-Base interactions energy: -313.038
where: short stacking energy: -141.011
Base-Backbone interact. energy: -1.678
local terms energy: -161.467317
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -45.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -412.122092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.122092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.122092 (E_RNA)
where:
Base-Base interactions energy: -262.730
where: short stacking energy: -120.281
Base-Backbone interact. energy: 0.606
local terms energy: -149.997287
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -31.810
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: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -417.128647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.128647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.128647 (E_RNA)
where:
Base-Base interactions energy: -287.089
where: short stacking energy: -120.738
Base-Backbone interact. energy: -0.537
local terms energy: -129.502769
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -32.080
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: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -299.772434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.772434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.772434 (E_RNA)
where:
Base-Base interactions energy: -178.768
where: short stacking energy: -93.219
Base-Backbone interact. energy: -1.177
local terms energy: -119.826524
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -251.212753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.212753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.212753 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -80.456
Base-Backbone interact. energy: -0.026
local terms energy: -109.705728
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -178.579681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.579681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.579681 (E_RNA)
where:
Base-Base interactions energy: -72.570
where: short stacking energy: -48.772
Base-Backbone interact. energy: 0.040
local terms energy: -106.049645
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -8.463
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: 178
Temperature: 1.350000
Total energy: -160.538122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.538122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.538122 (E_RNA)
where:
Base-Base interactions energy: -77.669
where: short stacking energy: -45.272
Base-Backbone interact. energy: 0.264
local terms energy: -83.133550
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -11.857
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: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -554.372909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.372909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.372909 (E_RNA)
where:
Base-Base interactions energy: -376.321
where: short stacking energy: -164.803
Base-Backbone interact. energy: -0.057
local terms energy: -177.995269
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -50.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -528.067992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.067992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.067992 (E_RNA)
where:
Base-Base interactions energy: -355.216
where: short stacking energy: -155.884
Base-Backbone interact. energy: -0.204
local terms energy: -172.648204
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -35.308
flat angles C4'-P-C4' energy: -35.493
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -48.466
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: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -530.003234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.003234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.003234 (E_RNA)
where:
Base-Base interactions energy: -362.592
where: short stacking energy: -162.327
Base-Backbone interact. energy: -0.089
local terms energy: -167.322099
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -48.840
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: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -473.756299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.756299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.756299 (E_RNA)
where:
Base-Base interactions energy: -318.008
where: short stacking energy: -134.842
Base-Backbone interact. energy: 0.617
local terms energy: -156.365357
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -37.814
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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -406.616136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.616136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.616136 (E_RNA)
where:
Base-Base interactions energy: -262.234
where: short stacking energy: -129.931
Base-Backbone interact. energy: -0.147
local terms energy: -144.235656
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -36.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -412.864708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.864708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.864708 (E_RNA)
where:
Base-Base interactions energy: -280.339
where: short stacking energy: -113.371
Base-Backbone interact. energy: -0.423
local terms energy: -132.102991
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -31.470
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: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -295.957354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.957354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.957354 (E_RNA)
where:
Base-Base interactions energy: -178.305
where: short stacking energy: -81.940
Base-Backbone interact. energy: 0.213
local terms energy: -117.866075
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -273.755698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.755698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.755698 (E_RNA)
where:
Base-Base interactions energy: -152.340
where: short stacking energy: -77.551
Base-Backbone interact. energy: -0.335
local terms energy: -121.080803
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -156.941365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.941365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.941365 (E_RNA)
where:
Base-Base interactions energy: -58.246
where: short stacking energy: -29.423
Base-Backbone interact. energy: 0.109
local terms energy: -98.804644
where:
bonds (distance) C4'-P energy: -29.556
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -7.469
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: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -140.781463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.781463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.781463 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -35.172
Base-Backbone interact. energy: -1.806
local terms energy: -95.182816
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: 7.701
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: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -552.677774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.677774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.677774 (E_RNA)
where:
Base-Base interactions energy: -372.934
where: short stacking energy: -162.274
Base-Backbone interact. energy: 0.326
local terms energy: -180.069001
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -39.920
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -52.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -519.207373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.207373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.207373 (E_RNA)
where:
Base-Base interactions energy: -347.514
where: short stacking energy: -148.096
Base-Backbone interact. energy: 0.668
local terms energy: -172.361491
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -40.040
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -521.845140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.845140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.845140 (E_RNA)
where:
Base-Base interactions energy: -362.244
where: short stacking energy: -161.536
Base-Backbone interact. energy: -0.692
local terms energy: -158.910015
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -51.289
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: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -483.614866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.614866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.614866 (E_RNA)
where:
Base-Base interactions energy: -325.525
where: short stacking energy: -137.535
Base-Backbone interact. energy: 0.700
local terms energy: -158.789168
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -36.725
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: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -428.095987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.095987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.095987 (E_RNA)
where:
Base-Base interactions energy: -273.973
where: short stacking energy: -113.500
Base-Backbone interact. energy: -0.842
local terms energy: -153.280768
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -32.401
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -397.609294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.609294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.609294 (E_RNA)
where:
Base-Base interactions energy: -250.251
where: short stacking energy: -120.982
Base-Backbone interact. energy: -0.237
local terms energy: -147.121016
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -35.857
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: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -297.240733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.240733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.240733 (E_RNA)
where:
Base-Base interactions energy: -170.293
where: short stacking energy: -84.669
Base-Backbone interact. energy: -0.555
local terms energy: -126.392635
where:
bonds (distance) C4'-P energy: -30.618
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -18.352
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: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -282.208266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.208266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.208266 (E_RNA)
where:
Base-Base interactions energy: -171.967
where: short stacking energy: -76.306
Base-Backbone interact. energy: -0.648
local terms energy: -109.593693
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -14.561
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: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -159.027902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.027902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.027902 (E_RNA)
where:
Base-Base interactions energy: -64.625
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.877
local terms energy: -93.525389
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: 3.647
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: 180
Temperature: 1.350000
Total energy: -146.235441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.235441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.235441 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -44.122
Base-Backbone interact. energy: 2.050
local terms energy: -94.501318
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -7.049
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: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -548.964067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.964067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.964067 (E_RNA)
where:
Base-Base interactions energy: -376.801
where: short stacking energy: -169.330
Base-Backbone interact. energy: -0.780
local terms energy: -171.383682
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -32.033
flat angles C4'-P-C4' energy: -35.448
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -49.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -517.917620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.917620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.917620 (E_RNA)
where:
Base-Base interactions energy: -367.685
where: short stacking energy: -138.080
Base-Backbone interact. energy: -0.161
local terms energy: -150.071869
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -36.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -558.132939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.132939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.132939 (E_RNA)
where:
Base-Base interactions energy: -377.089
where: short stacking energy: -170.163
Base-Backbone interact. energy: -0.356
local terms energy: -180.688531
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -38.623
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -52.833
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: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -476.047134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.047134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.047134 (E_RNA)
where:
Base-Base interactions energy: -321.308
where: short stacking energy: -133.630
Base-Backbone interact. energy: 0.389
local terms energy: -155.127380
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -36.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -418.206754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.206754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.206754 (E_RNA)
where:
Base-Base interactions energy: -276.988
where: short stacking energy: -118.459
Base-Backbone interact. energy: -1.573
local terms energy: -139.646226
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -34.543
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -28.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -394.404601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.404601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.404601 (E_RNA)
where:
Base-Base interactions energy: -247.184
where: short stacking energy: -112.853
Base-Backbone interact. energy: -0.061
local terms energy: -147.159753
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -36.930
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: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -285.188675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.188675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.188675 (E_RNA)
where:
Base-Base interactions energy: -158.214
where: short stacking energy: -89.286
Base-Backbone interact. energy: -0.182
local terms energy: -126.793076
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -34.725
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -149.625685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.625685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.625685 (E_RNA)
where:
Base-Base interactions energy: -55.637
where: short stacking energy: -39.852
Base-Backbone interact. energy: 1.207
local terms energy: -95.195303
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: 3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -259.701841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.701841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.701841 (E_RNA)
where:
Base-Base interactions energy: -147.074
where: short stacking energy: -94.450
Base-Backbone interact. energy: -0.794
local terms energy: -111.833911
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.707
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: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -145.832175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.832175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.832175 (E_RNA)
where:
Base-Base interactions energy: -52.395
where: short stacking energy: -46.683
Base-Backbone interact. energy: 0.938
local terms energy: -94.375322
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: 0.113
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: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -552.308366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.308366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.308366 (E_RNA)
where:
Base-Base interactions energy: -376.613
where: short stacking energy: -167.855
Base-Backbone interact. energy: -0.002
local terms energy: -175.693366
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -28.864
tors. eta vs tors. theta energy: -51.211
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: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -539.707074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.707074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.707074 (E_RNA)
where:
Base-Base interactions energy: -368.926
where: short stacking energy: -156.958
Base-Backbone interact. energy: -0.425
local terms energy: -170.355988
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -48.745
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: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -538.551421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.551421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.551421 (E_RNA)
where:
Base-Base interactions energy: -367.246
where: short stacking energy: -159.536
Base-Backbone interact. energy: 0.283
local terms energy: -171.588083
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -35.853
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -54.634
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: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -490.782294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.782294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.782294 (E_RNA)
where:
Base-Base interactions energy: -322.805
where: short stacking energy: -135.052
Base-Backbone interact. energy: -0.209
local terms energy: -167.768311
where:
bonds (distance) C4'-P energy: -26.334
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -27.090
tors. eta vs tors. theta energy: -41.674
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -427.642795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.642795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.642795 (E_RNA)
where:
Base-Base interactions energy: -292.024
where: short stacking energy: -125.165
Base-Backbone interact. energy: -0.735
local terms energy: -134.884107
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -31.228
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: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -392.977549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.977549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.977549 (E_RNA)
where:
Base-Base interactions energy: -253.374
where: short stacking energy: -112.944
Base-Backbone interact. energy: -0.067
local terms energy: -139.536731
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -31.118
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: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -285.825784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.825784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.825784 (E_RNA)
where:
Base-Base interactions energy: -170.497
where: short stacking energy: -92.032
Base-Backbone interact. energy: -0.167
local terms energy: -115.161609
where:
bonds (distance) C4'-P energy: -28.211
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -32.354
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -23.447
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: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -168.152330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.152330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.152330 (E_RNA)
where:
Base-Base interactions energy: -67.769
where: short stacking energy: -58.706
Base-Backbone interact. energy: 1.316
local terms energy: -101.698683
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -8.062
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: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -245.632093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.632093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.632093 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.309
local terms energy: -103.824518
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -7.917
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: 182
Temperature: 1.350000
Total energy: -145.663677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.663677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.663677 (E_RNA)
where:
Base-Base interactions energy: -55.534
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.604
local terms energy: -89.525941
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: 3.024
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: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -546.448889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.448889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.448889 (E_RNA)
where:
Base-Base interactions energy: -359.997
where: short stacking energy: -153.947
Base-Backbone interact. energy: -0.783
local terms energy: -185.668678
where:
bonds (distance) C4'-P energy: -37.594
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -33.562
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -52.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -547.043032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.043032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.043032 (E_RNA)
where:
Base-Base interactions energy: -365.757
where: short stacking energy: -169.712
Base-Backbone interact. energy: 0.372
local terms energy: -181.657993
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -54.876
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: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -545.541218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.541218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.541218 (E_RNA)
where:
Base-Base interactions energy: -376.226
where: short stacking energy: -151.421
Base-Backbone interact. energy: -0.071
local terms energy: -169.245068
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -47.064
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: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -484.912351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.912351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.912351 (E_RNA)
where:
Base-Base interactions energy: -326.787
where: short stacking energy: -149.119
Base-Backbone interact. energy: -0.154
local terms energy: -157.971744
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -44.010
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -428.406675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.406675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.406675 (E_RNA)
where:
Base-Base interactions energy: -298.946
where: short stacking energy: -126.898
Base-Backbone interact. energy: -1.800
local terms energy: -127.661131
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -34.436
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -35.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -388.624010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.624010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.624010 (E_RNA)
where:
Base-Base interactions energy: -245.646
where: short stacking energy: -121.719
Base-Backbone interact. energy: -0.275
local terms energy: -142.702845
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -31.573
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: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -324.241412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.241412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.241412 (E_RNA)
where:
Base-Base interactions energy: -189.565
where: short stacking energy: -100.650
Base-Backbone interact. energy: -0.185
local terms energy: -134.492087
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -24.619
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: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -275.102368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.102368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.102368 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -66.205
Base-Backbone interact. energy: 1.379
local terms energy: -125.545382
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -16.033
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -159.766267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.766267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.766267 (E_RNA)
where:
Base-Base interactions energy: -68.749
where: short stacking energy: -50.225
Base-Backbone interact. energy: -0.678
local terms energy: -90.339488
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -147.843928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.843928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.843928 (E_RNA)
where:
Base-Base interactions energy: -79.767
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.299
local terms energy: -67.778246
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: 0.522
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: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -553.362844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.362844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.362844 (E_RNA)
where:
Base-Base interactions energy: -368.212
where: short stacking energy: -167.932
Base-Backbone interact. energy: -0.778
local terms energy: -184.373126
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -54.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -551.691865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.691865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.691865 (E_RNA)
where:
Base-Base interactions energy: -378.359
where: short stacking energy: -165.057
Base-Backbone interact. energy: -1.015
local terms energy: -172.317420
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -35.707
flat angles P-C4'-P energy: -27.342
tors. eta vs tors. theta energy: -46.875
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: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -515.108322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.108322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.108322 (E_RNA)
where:
Base-Base interactions energy: -342.959
where: short stacking energy: -146.758
Base-Backbone interact. energy: -0.565
local terms energy: -171.584169
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -36.931
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -46.005
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: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -476.734732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.734732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.734732 (E_RNA)
where:
Base-Base interactions energy: -314.659
where: short stacking energy: -140.703
Base-Backbone interact. energy: -0.183
local terms energy: -161.893003
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -42.227
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: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -418.954652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.954652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.954652 (E_RNA)
where:
Base-Base interactions energy: -271.493
where: short stacking energy: -121.785
Base-Backbone interact. energy: -1.455
local terms energy: -146.006221
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -36.588
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: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -391.529131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.529131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.529131 (E_RNA)
where:
Base-Base interactions energy: -259.699
where: short stacking energy: -125.816
Base-Backbone interact. energy: -0.140
local terms energy: -131.690091
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -37.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -298.130815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.130815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.130815 (E_RNA)
where:
Base-Base interactions energy: -193.390
where: short stacking energy: -86.381
Base-Backbone interact. energy: -1.041
local terms energy: -103.700214
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -280.370498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.370498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.370498 (E_RNA)
where:
Base-Base interactions energy: -169.662
where: short stacking energy: -71.059
Base-Backbone interact. energy: 0.224
local terms energy: -110.932641
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -6.557
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: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -185.646215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.646215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.646215 (E_RNA)
where:
Base-Base interactions energy: -95.595
where: short stacking energy: -45.903
Base-Backbone interact. energy: -1.412
local terms energy: -88.638971
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -139.798316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.798316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.798316 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -28.734
Base-Backbone interact. energy: 1.037
local terms energy: -98.000278
where:
bonds (distance) C4'-P energy: -33.897
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: 0.408
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: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -553.931691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.931691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.931691 (E_RNA)
where:
Base-Base interactions energy: -368.309
where: short stacking energy: -162.413
Base-Backbone interact. energy: -0.014
local terms energy: -185.608026
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -55.936
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: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -554.432259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.432259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.432259 (E_RNA)
where:
Base-Base interactions energy: -378.257
where: short stacking energy: -162.163
Base-Backbone interact. energy: -0.071
local terms energy: -176.104143
where:
bonds (distance) C4'-P energy: -32.374
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -36.333
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -47.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -519.229504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.229504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.229504 (E_RNA)
where:
Base-Base interactions energy: -359.042
where: short stacking energy: -141.324
Base-Backbone interact. energy: -0.728
local terms energy: -159.459509
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -45.242
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: 185
Temperature: 1.050000
Total energy: -480.373772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.373772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.373772 (E_RNA)
where:
Base-Base interactions energy: -313.893
where: short stacking energy: -142.227
Base-Backbone interact. energy: -0.309
local terms energy: -166.171293
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -45.024
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -427.658834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.658834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.658834 (E_RNA)
where:
Base-Base interactions energy: -291.485
where: short stacking energy: -128.344
Base-Backbone interact. energy: 3.377
local terms energy: -139.551619
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -31.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -377.087112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.087112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.087112 (E_RNA)
where:
Base-Base interactions energy: -231.332
where: short stacking energy: -107.204
Base-Backbone interact. energy: -1.113
local terms energy: -144.642333
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -35.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -281.247152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.247152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.247152 (E_RNA)
where:
Base-Base interactions energy: -161.540
where: short stacking energy: -76.833
Base-Backbone interact. energy: -0.590
local terms energy: -119.116677
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -32.674
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -18.623
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: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -275.792004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.792004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.792004 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.681
local terms energy: -117.670491
where:
bonds (distance) C4'-P energy: -30.250
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -13.995
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: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -161.944433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.944433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.944433 (E_RNA)
where:
Base-Base interactions energy: -60.347
where: short stacking energy: -49.072
Base-Backbone interact. energy: -0.634
local terms energy: -100.962986
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -2.229
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -137.584387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.584387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.584387 (E_RNA)
where:
Base-Base interactions energy: -54.588
where: short stacking energy: -37.725
Base-Backbone interact. energy: 1.552
local terms energy: -84.548515
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -13.232
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: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -557.922969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.922969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.922969 (E_RNA)
where:
Base-Base interactions energy: -387.392
where: short stacking energy: -160.246
Base-Backbone interact. energy: -0.204
local terms energy: -170.326451
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -38.872
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -45.459
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: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -552.603056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.603056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.603056 (E_RNA)
where:
Base-Base interactions energy: -366.031
where: short stacking energy: -158.727
Base-Backbone interact. energy: -1.151
local terms energy: -185.421162
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -52.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -495.764914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.764914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.764914 (E_RNA)
where:
Base-Base interactions energy: -319.184
where: short stacking energy: -146.285
Base-Backbone interact. energy: -0.215
local terms energy: -176.365481
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -31.988
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -45.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -511.269955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.269955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.269955 (E_RNA)
where:
Base-Base interactions energy: -358.954
where: short stacking energy: -140.143
Base-Backbone interact. energy: 0.801
local terms energy: -153.117565
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -36.246
flat angles C4'-P-C4' energy: -34.760
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -42.494
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: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -437.546930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.546930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.546930 (E_RNA)
where:
Base-Base interactions energy: -287.543
where: short stacking energy: -120.833
Base-Backbone interact. energy: -3.120
local terms energy: -146.883587
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -31.968
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -401.989733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.989733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.989733 (E_RNA)
where:
Base-Base interactions energy: -247.280
where: short stacking energy: -114.343
Base-Backbone interact. energy: -0.048
local terms energy: -154.661861
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -32.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -293.038520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.038520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.038520 (E_RNA)
where:
Base-Base interactions energy: -173.278
where: short stacking energy: -83.280
Base-Backbone interact. energy: -0.858
local terms energy: -118.902241
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -13.676
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: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -264.327629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.327629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.327629 (E_RNA)
where:
Base-Base interactions energy: -141.075
where: short stacking energy: -79.631
Base-Backbone interact. energy: -0.608
local terms energy: -122.644657
where:
bonds (distance) C4'-P energy: -28.319
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -15.651
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: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -167.406578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.406578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.406578 (E_RNA)
where:
Base-Base interactions energy: -77.889
where: short stacking energy: -41.465
Base-Backbone interact. energy: 2.405
local terms energy: -91.921930
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: 2.737
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: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -149.442304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.442304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.442304 (E_RNA)
where:
Base-Base interactions energy: -53.421
where: short stacking energy: -29.566
Base-Backbone interact. energy: -0.905
local terms energy: -95.116474
where:
bonds (distance) C4'-P energy: -24.427
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: 1.949
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: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -558.902553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.902553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.902553 (E_RNA)
where:
Base-Base interactions energy: -382.068
where: short stacking energy: -163.703
Base-Backbone interact. energy: -0.284
local terms energy: -176.550834
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -20.918
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: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -562.042080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.042080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.042080 (E_RNA)
where:
Base-Base interactions energy: -377.725
where: short stacking energy: -160.558
Base-Backbone interact. energy: -0.367
local terms energy: -183.950236
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -37.527
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -50.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -491.355792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.355792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.355792 (E_RNA)
where:
Base-Base interactions energy: -324.610
where: short stacking energy: -154.379
Base-Backbone interact. energy: -0.647
local terms energy: -166.098319
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -47.063
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: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -508.462535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.462535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.462535 (E_RNA)
where:
Base-Base interactions energy: -346.754
where: short stacking energy: -149.145
Base-Backbone interact. energy: -0.430
local terms energy: -161.278434
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -48.331
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: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -424.598513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.598513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.598513 (E_RNA)
where:
Base-Base interactions energy: -299.357
where: short stacking energy: -138.169
Base-Backbone interact. energy: -0.434
local terms energy: -124.807169
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -41.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -322.981855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.981855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.981855 (E_RNA)
where:
Base-Base interactions energy: -179.846
where: short stacking energy: -101.908
Base-Backbone interact. energy: 0.220
local terms energy: -143.356430
where:
bonds (distance) C4'-P energy: -31.621
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -360.777857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.777857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.777857 (E_RNA)
where:
Base-Base interactions energy: -216.407
where: short stacking energy: -95.949
Base-Backbone interact. energy: -0.623
local terms energy: -143.748676
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -25.494
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: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -249.767244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.767244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.767244 (E_RNA)
where:
Base-Base interactions energy: -141.746
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.482
local terms energy: -107.539399
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -8.473
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -144.197217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.197217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.197217 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -39.982
Base-Backbone interact. energy: -3.035
local terms energy: -93.317903
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -27.087
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: 3.779
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: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -164.396769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.396769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.396769 (E_RNA)
where:
Base-Base interactions energy: -68.300
where: short stacking energy: -50.831
Base-Backbone interact. energy: 0.085
local terms energy: -96.181739
where:
bonds (distance) C4'-P energy: -30.058
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: 7.040
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: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -545.675418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.675418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.675418 (E_RNA)
where:
Base-Base interactions energy: -369.813
where: short stacking energy: -156.960
Base-Backbone interact. energy: 0.843
local terms energy: -176.706323
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -46.899
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: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -528.307963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.307963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.307963 (E_RNA)
where:
Base-Base interactions energy: -349.186
where: short stacking energy: -141.916
Base-Backbone interact. energy: -0.794
local terms energy: -178.328289
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -46.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -489.282675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.282675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.282675 (E_RNA)
where:
Base-Base interactions energy: -329.349
where: short stacking energy: -142.506
Base-Backbone interact. energy: 1.027
local terms energy: -160.960309
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -45.243
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: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -520.862122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.862122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.862122 (E_RNA)
where:
Base-Base interactions energy: -358.053
where: short stacking energy: -152.339
Base-Backbone interact. energy: -0.717
local terms energy: -162.092330
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -44.493
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: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -435.199814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.199814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.199814 (E_RNA)
where:
Base-Base interactions energy: -297.382
where: short stacking energy: -122.333
Base-Backbone interact. energy: 0.019
local terms energy: -137.836345
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -35.630
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: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -313.950643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.950643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.950643 (E_RNA)
where:
Base-Base interactions energy: -174.081
where: short stacking energy: -100.093
Base-Backbone interact. energy: -0.647
local terms energy: -139.223338
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -387.441870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.441870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.441870 (E_RNA)
where:
Base-Base interactions energy: -235.247
where: short stacking energy: -98.502
Base-Backbone interact. energy: -0.412
local terms energy: -151.783404
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -32.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -265.670433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.670433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.670433 (E_RNA)
where:
Base-Base interactions energy: -148.033
where: short stacking energy: -70.777
Base-Backbone interact. energy: 0.274
local terms energy: -117.911449
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -9.324
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: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -167.408822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.408822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.408822 (E_RNA)
where:
Base-Base interactions energy: -63.200
where: short stacking energy: -48.391
Base-Backbone interact. energy: -1.857
local terms energy: -102.351036
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -0.689
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: 188
Temperature: 1.350000
Total energy: -141.731145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.731145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.731145 (E_RNA)
where:
Base-Base interactions energy: -43.231
where: short stacking energy: -37.490
Base-Backbone interact. energy: 0.759
local terms energy: -99.259030
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -28.527
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -2.312
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: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -533.818073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.818073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.818073 (E_RNA)
where:
Base-Base interactions energy: -359.902
where: short stacking energy: -152.337
Base-Backbone interact. energy: -0.265
local terms energy: -173.650507
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -42.606
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: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -544.078253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.078253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.078253 (E_RNA)
where:
Base-Base interactions energy: -367.200
where: short stacking energy: -150.183
Base-Backbone interact. energy: -0.338
local terms energy: -176.540193
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -50.968
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: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -496.685113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.685113 (E_RNA)
where:
Base-Base interactions energy: -326.339
where: short stacking energy: -150.971
Base-Backbone interact. energy: -0.290
local terms energy: -170.055697
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -36.360
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -43.490
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -540.629934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.629934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.629934 (E_RNA)
where:
Base-Base interactions energy: -372.089
where: short stacking energy: -151.940
Base-Backbone interact. energy: -0.147
local terms energy: -168.393604
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -22.059
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -442.979861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.979861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.979861 (E_RNA)
where:
Base-Base interactions energy: -292.226
where: short stacking energy: -123.901
Base-Backbone interact. energy: -0.457
local terms energy: -150.297649
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -417.226275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.226275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.226275 (E_RNA)
where:
Base-Base interactions energy: -277.017
where: short stacking energy: -120.286
Base-Backbone interact. energy: -0.405
local terms energy: -139.803797
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -37.965
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: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -314.288931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.288931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.288931 (E_RNA)
where:
Base-Base interactions energy: -179.973
where: short stacking energy: -103.482
Base-Backbone interact. energy: 1.143
local terms energy: -135.459002
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -31.749
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -27.415
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -251.412691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.412691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.412691 (E_RNA)
where:
Base-Base interactions energy: -129.330
where: short stacking energy: -73.773
Base-Backbone interact. energy: -1.622
local terms energy: -120.461278
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -13.078
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: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -158.181828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.181828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.181828 (E_RNA)
where:
Base-Base interactions energy: -63.285
where: short stacking energy: -53.873
Base-Backbone interact. energy: -0.684
local terms energy: -94.213072
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -141.907946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.907946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.907946 (E_RNA)
where:
Base-Base interactions energy: -51.691
where: short stacking energy: -50.856
Base-Backbone interact. energy: 0.464
local terms energy: -90.680763
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -557.766749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.766749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.766749 (E_RNA)
where:
Base-Base interactions energy: -381.177
where: short stacking energy: -166.767
Base-Backbone interact. energy: -0.065
local terms energy: -176.524102
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -49.445
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: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -536.904896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.904896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.904896 (E_RNA)
where:
Base-Base interactions energy: -357.249
where: short stacking energy: -158.759
Base-Backbone interact. energy: -0.809
local terms energy: -178.847129
where:
bonds (distance) C4'-P energy: -37.437
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -26.560
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -552.601269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.601269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.601269 (E_RNA)
where:
Base-Base interactions energy: -368.179
where: short stacking energy: -167.193
Base-Backbone interact. energy: 0.179
local terms energy: -184.601182
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -54.259
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: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -457.188604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.188604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.188604 (E_RNA)
where:
Base-Base interactions energy: -295.067
where: short stacking energy: -126.462
Base-Backbone interact. energy: -0.152
local terms energy: -161.969567
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -40.879
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: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -434.725544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.725544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.725544 (E_RNA)
where:
Base-Base interactions energy: -280.475
where: short stacking energy: -116.950
Base-Backbone interact. energy: -0.677
local terms energy: -153.573588
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -37.466
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -30.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -412.757463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.757463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.757463 (E_RNA)
where:
Base-Base interactions energy: -260.538
where: short stacking energy: -120.458
Base-Backbone interact. energy: 1.299
local terms energy: -153.519188
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -39.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -257.939956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.939956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.939956 (E_RNA)
where:
Base-Base interactions energy: -140.396
where: short stacking energy: -83.749
Base-Backbone interact. energy: -0.913
local terms energy: -116.630277
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -236.786965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.786965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.786965 (E_RNA)
where:
Base-Base interactions energy: -120.666
where: short stacking energy: -73.941
Base-Backbone interact. energy: -0.191
local terms energy: -115.929513
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -15.750
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -152.710787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.710787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.710787 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -43.839
Base-Backbone interact. energy: -0.295
local terms energy: -108.576242
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: 0.183
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: 190
Temperature: 1.350000
Total energy: -134.409852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.409852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.409852 (E_RNA)
where:
Base-Base interactions energy: -46.890
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.129
local terms energy: -87.390684
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: 2.242
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: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -555.000530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.000530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.000530 (E_RNA)
where:
Base-Base interactions energy: -386.341
where: short stacking energy: -164.046
Base-Backbone interact. energy: -0.293
local terms energy: -168.367349
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -36.467
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -46.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -548.497680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.497680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.497680 (E_RNA)
where:
Base-Base interactions energy: -376.833
where: short stacking energy: -154.323
Base-Backbone interact. energy: -0.630
local terms energy: -171.034707
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -45.547
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: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -525.999791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.999791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.999791 (E_RNA)
where:
Base-Base interactions energy: -358.231
where: short stacking energy: -144.565
Base-Backbone interact. energy: -0.474
local terms energy: -167.294794
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -45.654
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -432.469769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.469769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.469769 (E_RNA)
where:
Base-Base interactions energy: -286.609
where: short stacking energy: -119.491
Base-Backbone interact. energy: -0.390
local terms energy: -145.470849
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -34.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -443.870673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.870673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.870673 (E_RNA)
where:
Base-Base interactions energy: -291.505
where: short stacking energy: -124.844
Base-Backbone interact. energy: -0.753
local terms energy: -151.612919
where:
bonds (distance) C4'-P energy: -31.069
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -38.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -413.971811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.971811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.971811 (E_RNA)
where:
Base-Base interactions energy: -256.553
where: short stacking energy: -126.342
Base-Backbone interact. energy: -0.599
local terms energy: -156.819652
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -41.299
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: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -266.710589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.710589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.710589 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -81.171
Base-Backbone interact. energy: -1.309
local terms energy: -124.378111
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -271.110362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.110362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.110362 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -67.441
Base-Backbone interact. energy: -2.698
local terms energy: -121.548630
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -33.630
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -160.185707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.185707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.185707 (E_RNA)
where:
Base-Base interactions energy: -50.741
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.329
local terms energy: -109.115675
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -34.186
flat angles C4'-P-C4' energy: -29.143
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: 0.225
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -138.548183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.548183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.548183 (E_RNA)
where:
Base-Base interactions energy: -43.753
where: short stacking energy: -29.993
Base-Backbone interact. energy: -0.456
local terms energy: -94.339873
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: 3.149
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: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -547.073531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.073531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.073531 (E_RNA)
where:
Base-Base interactions energy: -373.420
where: short stacking energy: -146.584
Base-Backbone interact. energy: -0.132
local terms energy: -173.521867
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -29.453
tors. eta vs tors. theta energy: -45.130
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: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -552.017890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.017890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.017890 (E_RNA)
where:
Base-Base interactions energy: -376.566
where: short stacking energy: -153.542
Base-Backbone interact. energy: -0.152
local terms energy: -175.300104
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -45.394
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: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -456.086802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.086802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.086802 (E_RNA)
where:
Base-Base interactions energy: -294.389
where: short stacking energy: -143.860
Base-Backbone interact. energy: 0.380
local terms energy: -162.078451
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -36.577
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -40.470
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: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -509.884599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.884599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.884599 (E_RNA)
where:
Base-Base interactions energy: -350.011
where: short stacking energy: -143.067
Base-Backbone interact. energy: -0.791
local terms energy: -159.082847
where:
bonds (distance) C4'-P energy: -36.588
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -42.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -456.593556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.593556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.593556 (E_RNA)
where:
Base-Base interactions energy: -290.035
where: short stacking energy: -133.817
Base-Backbone interact. energy: -0.166
local terms energy: -166.391917
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -44.980
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: 192
Temperature: 1.150000
Total energy: -401.891774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.891774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.891774 (E_RNA)
where:
Base-Base interactions energy: -265.474
where: short stacking energy: -115.954
Base-Backbone interact. energy: -0.763
local terms energy: -135.654352
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -31.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -341.646120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.646120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.646120 (E_RNA)
where:
Base-Base interactions energy: -207.112
where: short stacking energy: -88.376
Base-Backbone interact. energy: -0.384
local terms energy: -134.149852
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -15.002
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: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -275.493954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.493954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.493954 (E_RNA)
where:
Base-Base interactions energy: -159.290
where: short stacking energy: -87.588
Base-Backbone interact. energy: 0.694
local terms energy: -116.898532
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -18.667
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: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -163.552582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.552582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.552582 (E_RNA)
where:
Base-Base interactions energy: -48.057
where: short stacking energy: -25.952
Base-Backbone interact. energy: -0.487
local terms energy: -115.007962
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: 0.677
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: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -139.289961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.289961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.289961 (E_RNA)
where:
Base-Base interactions energy: -47.689
where: short stacking energy: -37.250
Base-Backbone interact. energy: 0.454
local terms energy: -92.054982
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -3.485
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: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -543.874932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.874932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.874932 (E_RNA)
where:
Base-Base interactions energy: -376.903
where: short stacking energy: -151.783
Base-Backbone interact. energy: -0.046
local terms energy: -166.926510
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -44.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -542.778639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.778639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.778639 (E_RNA)
where:
Base-Base interactions energy: -363.762
where: short stacking energy: -150.997
Base-Backbone interact. energy: -0.486
local terms energy: -178.530260
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -50.632
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: 193
Temperature: 1.000000
Total energy: -458.153916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.153916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.153916 (E_RNA)
where:
Base-Base interactions energy: -294.417
where: short stacking energy: -140.793
Base-Backbone interact. energy: -0.999
local terms energy: -162.737802
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -30.941
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -43.583
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: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -490.178240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.178240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.178240 (E_RNA)
where:
Base-Base interactions energy: -321.986
where: short stacking energy: -148.434
Base-Backbone interact. energy: -0.237
local terms energy: -167.955529
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -38.683
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -47.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -495.929067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.929067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.929067 (E_RNA)
where:
Base-Base interactions energy: -340.398
where: short stacking energy: -131.603
Base-Backbone interact. energy: -0.165
local terms energy: -155.366110
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: -42.612
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: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -398.248897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.248897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.248897 (E_RNA)
where:
Base-Base interactions energy: -240.967
where: short stacking energy: -117.238
Base-Backbone interact. energy: 0.429
local terms energy: -157.710371
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -34.057
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: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -326.416620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.416620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.416620 (E_RNA)
where:
Base-Base interactions energy: -222.914
where: short stacking energy: -90.388
Base-Backbone interact. energy: -2.897
local terms energy: -100.605920
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -20.423
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: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -278.914122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.914122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.914122 (E_RNA)
where:
Base-Base interactions energy: -146.343
where: short stacking energy: -88.368
Base-Backbone interact. energy: -0.996
local terms energy: -131.575317
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -24.495
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: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -145.191627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.191627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.191627 (E_RNA)
where:
Base-Base interactions energy: -56.263
where: short stacking energy: -47.547
Base-Backbone interact. energy: -0.446
local terms energy: -88.482756
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: 4.124
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: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -149.343910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.343910 (E_RNA)
where:
Base-Base interactions energy: -47.878
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.404
local terms energy: -101.062675
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -13.354
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: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -557.064175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.064175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.064175 (E_RNA)
where:
Base-Base interactions energy: -382.308
where: short stacking energy: -159.179
Base-Backbone interact. energy: -0.160
local terms energy: -174.595684
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -38.181
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -44.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -519.572687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.572687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.572687 (E_RNA)
where:
Base-Base interactions energy: -339.675
where: short stacking energy: -145.029
Base-Backbone interact. energy: 0.970
local terms energy: -180.866870
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -26.545
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: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -491.468363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.468363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.468363 (E_RNA)
where:
Base-Base interactions energy: -322.769
where: short stacking energy: -156.133
Base-Backbone interact. energy: -0.526
local terms energy: -168.173838
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -34.214
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: -49.106
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: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -456.317538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.317538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.317538 (E_RNA)
where:
Base-Base interactions energy: -291.932
where: short stacking energy: -137.733
Base-Backbone interact. energy: 0.609
local terms energy: -164.995200
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -31.452
flat angles C4'-P-C4' energy: -40.050
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -40.410
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: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -503.593686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.593686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.593686 (E_RNA)
where:
Base-Base interactions energy: -351.721
where: short stacking energy: -153.665
Base-Backbone interact. energy: 0.973
local terms energy: -152.845501
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -43.938
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: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -417.029002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.029002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.029002 (E_RNA)
where:
Base-Base interactions energy: -248.046
where: short stacking energy: -132.517
Base-Backbone interact. energy: 0.473
local terms energy: -169.456122
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -28.189
flat angles C4'-P-C4' energy: -36.011
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -40.264
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -283.090604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.090604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.090604 (E_RNA)
where:
Base-Base interactions energy: -158.192
where: short stacking energy: -77.456
Base-Backbone interact. energy: -1.236
local terms energy: -123.661861
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -22.424
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: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -321.574717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.574717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.574717 (E_RNA)
where:
Base-Base interactions energy: -206.545
where: short stacking energy: -89.831
Base-Backbone interact. energy: -0.424
local terms energy: -114.605187
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -141.480426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.480426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.480426 (E_RNA)
where:
Base-Base interactions energy: -33.625
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.152
local terms energy: -107.702993
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -36.630
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: 5.674
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: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -133.834949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.834949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.834949 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -21.170
Base-Backbone interact. energy: 3.693
local terms energy: -100.197701
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: 9.557
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -559.330715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.330715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.330715 (E_RNA)
where:
Base-Base interactions energy: -382.751
where: short stacking energy: -155.476
Base-Backbone interact. energy: -0.156
local terms energy: -176.423700
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -46.134
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: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -489.376137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.376137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.376137 (E_RNA)
where:
Base-Base interactions energy: -327.272
where: short stacking energy: -146.033
Base-Backbone interact. energy: 0.638
local terms energy: -162.742717
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -46.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -552.637904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.637904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.637904 (E_RNA)
where:
Base-Base interactions energy: -376.583
where: short stacking energy: -159.411
Base-Backbone interact. energy: -0.274
local terms energy: -175.781044
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -45.278
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: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -511.049604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.049604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.049604 (E_RNA)
where:
Base-Base interactions energy: -344.508
where: short stacking energy: -144.950
Base-Backbone interact. energy: -0.247
local terms energy: -166.294067
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -45.731
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: 195
Temperature: 1.100000
Total energy: -445.974027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.974027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.974027 (E_RNA)
where:
Base-Base interactions energy: -290.317
where: short stacking energy: -129.454
Base-Backbone interact. energy: -0.863
local terms energy: -154.794412
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -30.903
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -37.757
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: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -400.619742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.619742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.619742 (E_RNA)
where:
Base-Base interactions energy: -262.967
where: short stacking energy: -137.839
Base-Backbone interact. energy: -0.490
local terms energy: -137.162436
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -37.922
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -306.516822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.516822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.516822 (E_RNA)
where:
Base-Base interactions energy: -177.911
where: short stacking energy: -98.408
Base-Backbone interact. energy: -0.059
local terms energy: -128.546789
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -35.212
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -328.465200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.465200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.465200 (E_RNA)
where:
Base-Base interactions energy: -209.088
where: short stacking energy: -86.829
Base-Backbone interact. energy: -1.509
local terms energy: -117.868508
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -20.131
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: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -148.705529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.705529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.705529 (E_RNA)
where:
Base-Base interactions energy: -51.673
where: short stacking energy: -48.391
Base-Backbone interact. energy: -1.578
local terms energy: -95.454752
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -4.768
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: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -140.077243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.077243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.077243 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.499
local terms energy: -109.021594
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: 8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -553.196709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.196709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.196709 (E_RNA)
where:
Base-Base interactions energy: -380.094
where: short stacking energy: -156.691
Base-Backbone interact. energy: -0.034
local terms energy: -173.069441
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -43.756
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -504.806054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.806054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.806054 (E_RNA)
where:
Base-Base interactions energy: -325.253
where: short stacking energy: -160.710
Base-Backbone interact. energy: 0.405
local terms energy: -179.958071
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -39.672
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -52.040
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: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -543.524886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.524886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.524886 (E_RNA)
where:
Base-Base interactions energy: -366.755
where: short stacking energy: -165.469
Base-Backbone interact. energy: 0.105
local terms energy: -176.875240
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -47.462
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: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -510.631122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.631122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.631122 (E_RNA)
where:
Base-Base interactions energy: -340.160
where: short stacking energy: -144.113
Base-Backbone interact. energy: -0.737
local terms energy: -169.733907
where:
bonds (distance) C4'-P energy: -35.395
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -34.473
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -42.181
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: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -428.481543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.481543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.481543 (E_RNA)
where:
Base-Base interactions energy: -275.510
where: short stacking energy: -137.165
Base-Backbone interact. energy: -0.428
local terms energy: -152.543667
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -38.273
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: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -471.858285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.858285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.858285 (E_RNA)
where:
Base-Base interactions energy: -318.501
where: short stacking energy: -134.554
Base-Backbone interact. energy: 0.464
local terms energy: -153.821071
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -36.090
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: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -372.337219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.337219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.337219 (E_RNA)
where:
Base-Base interactions energy: -247.905
where: short stacking energy: -99.890
Base-Backbone interact. energy: -1.054
local terms energy: -123.378580
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -31.115
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: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -301.891965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.891965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.891965 (E_RNA)
where:
Base-Base interactions energy: -186.528
where: short stacking energy: -93.697
Base-Backbone interact. energy: -0.846
local terms energy: -114.517687
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -21.496
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: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -148.431979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.431979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.431979 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -35.452
Base-Backbone interact. energy: -1.044
local terms energy: -108.285799
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -29.930
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -7.156
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: 196
Temperature: 1.350000
Total energy: -140.558211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.558211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.558211 (E_RNA)
where:
Base-Base interactions energy: -59.840
where: short stacking energy: -56.404
Base-Backbone interact. energy: 1.253
local terms energy: -81.971573
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -555.436234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.436234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.436234 (E_RNA)
where:
Base-Base interactions energy: -374.862
where: short stacking energy: -155.201
Base-Backbone interact. energy: -0.562
local terms energy: -180.012458
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -38.031
flat angles P-C4'-P energy: -29.125
tors. eta vs tors. theta energy: -46.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -532.651643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.651643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.651643 (E_RNA)
where:
Base-Base interactions energy: -358.517
where: short stacking energy: -154.277
Base-Backbone interact. energy: -0.404
local terms energy: -173.729955
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -26.924
tors. eta vs tors. theta energy: -45.588
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: 197
Temperature: 1.000000
Total energy: -497.416626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.416626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.416626 (E_RNA)
where:
Base-Base interactions energy: -328.798
where: short stacking energy: -138.116
Base-Backbone interact. energy: -0.352
local terms energy: -168.267553
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -41.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -514.205995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.205995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.205995 (E_RNA)
where:
Base-Base interactions energy: -350.054
where: short stacking energy: -150.584
Base-Backbone interact. energy: -1.396
local terms energy: -162.756206
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -41.241
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: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -433.777352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.777352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.777352 (E_RNA)
where:
Base-Base interactions energy: -290.896
where: short stacking energy: -127.005
Base-Backbone interact. energy: 0.329
local terms energy: -143.210881
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -32.409
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: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -496.241467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.241467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.241467 (E_RNA)
where:
Base-Base interactions energy: -331.374
where: short stacking energy: -150.639
Base-Backbone interact. energy: -0.074
local terms energy: -164.793390
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -43.268
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: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -380.125479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.125479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.125479 (E_RNA)
where:
Base-Base interactions energy: -236.621
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.101
local terms energy: -143.402891
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -286.374366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.374366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.374366 (E_RNA)
where:
Base-Base interactions energy: -162.868
where: short stacking energy: -92.569
Base-Backbone interact. energy: -1.069
local terms energy: -122.436998
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -156.983997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.983997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.983997 (E_RNA)
where:
Base-Base interactions energy: -38.627
where: short stacking energy: -28.910
Base-Backbone interact. energy: 0.171
local terms energy: -118.528170
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -0.222
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -150.886433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.886433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.886433 (E_RNA)
where:
Base-Base interactions energy: -50.877
where: short stacking energy: -46.453
Base-Backbone interact. energy: -0.847
local terms energy: -99.162314
where:
bonds (distance) C4'-P energy: -26.002
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -4.797
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: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -554.712719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.712719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.712719 (E_RNA)
where:
Base-Base interactions energy: -382.334
where: short stacking energy: -153.483
Base-Backbone interact. energy: -0.160
local terms energy: -172.218974
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -36.792
flat angles P-C4'-P energy: -26.394
tors. eta vs tors. theta energy: -44.151
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: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -535.677700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.677700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.677700 (E_RNA)
where:
Base-Base interactions energy: -369.213
where: short stacking energy: -159.206
Base-Backbone interact. energy: -0.229
local terms energy: -166.236488
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -46.706
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: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -484.281846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.281846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.281846 (E_RNA)
where:
Base-Base interactions energy: -322.834
where: short stacking energy: -149.029
Base-Backbone interact. energy: 1.402
local terms energy: -162.850011
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -37.418
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -45.229
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: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -484.344037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.344037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.344037 (E_RNA)
where:
Base-Base interactions energy: -316.394
where: short stacking energy: -138.791
Base-Backbone interact. energy: 0.939
local terms energy: -168.888754
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -44.073
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -493.995264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.995264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.995264 (E_RNA)
where:
Base-Base interactions energy: -345.970
where: short stacking energy: -143.822
Base-Backbone interact. energy: -0.151
local terms energy: -147.873514
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -43.599
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: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -401.784472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.784472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.784472 (E_RNA)
where:
Base-Base interactions energy: -261.707
where: short stacking energy: -103.369
Base-Backbone interact. energy: -0.598
local terms energy: -139.479609
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -26.164
tors. eta vs tors. theta energy: -20.704
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: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -376.915660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.915660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.915660 (E_RNA)
where:
Base-Base interactions energy: -240.012
where: short stacking energy: -99.203
Base-Backbone interact. energy: -0.912
local terms energy: -135.991093
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -22.417
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: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -276.810211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.810211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.810211 (E_RNA)
where:
Base-Base interactions energy: -158.420
where: short stacking energy: -92.964
Base-Backbone interact. energy: -0.570
local terms energy: -117.820335
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -28.615
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: 198
Temperature: 1.300000
Total energy: -152.421380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.421380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.421380 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -40.471
Base-Backbone interact. energy: -0.162
local terms energy: -112.688785
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -3.412
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: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -158.809627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.809627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.809627 (E_RNA)
where:
Base-Base interactions energy: -62.662
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.486
local terms energy: -95.661256
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: 3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -556.932489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.932489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.932489 (E_RNA)
where:
Base-Base interactions energy: -378.744
where: short stacking energy: -156.809
Base-Backbone interact. energy: -0.384
local terms energy: -177.804512
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -44.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -535.228698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.228698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.228698 (E_RNA)
where:
Base-Base interactions energy: -364.508
where: short stacking energy: -157.156
Base-Backbone interact. energy: -0.064
local terms energy: -170.656906
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -48.040
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: 199
Temperature: 1.000000
Total energy: -479.926557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.926557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.926557 (E_RNA)
where:
Base-Base interactions energy: -319.181
where: short stacking energy: -145.969
Base-Backbone interact. energy: -0.152
local terms energy: -160.593693
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -40.931
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: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -497.515972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.515972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.515972 (E_RNA)
where:
Base-Base interactions energy: -345.728
where: short stacking energy: -137.262
Base-Backbone interact. energy: -0.045
local terms energy: -151.743268
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -32.651
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: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -501.694272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.694272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.694272 (E_RNA)
where:
Base-Base interactions energy: -342.639
where: short stacking energy: -138.781
Base-Backbone interact. energy: -0.201
local terms energy: -158.854157
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -419.656612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.656612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.656612 (E_RNA)
where:
Base-Base interactions energy: -274.161
where: short stacking energy: -115.473
Base-Backbone interact. energy: -0.483
local terms energy: -145.012465
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -33.318
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -30.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -409.983551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.983551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.983551 (E_RNA)
where:
Base-Base interactions energy: -265.941
where: short stacking energy: -111.510
Base-Backbone interact. energy: -0.635
local terms energy: -143.407634
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -34.716
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -26.432
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: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -162.990251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.990251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.990251 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -44.799
Base-Backbone interact. energy: -0.675
local terms energy: -115.619845
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -2.882
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: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -263.915497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.915497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.915497 (E_RNA)
where:
Base-Base interactions energy: -153.740
where: short stacking energy: -75.058
Base-Backbone interact. energy: -0.213
local terms energy: -109.962522
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -10.097
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: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -142.344315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.344315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.344315 (E_RNA)
where:
Base-Base interactions energy: -59.988
where: short stacking energy: -35.565
Base-Backbone interact. energy: 0.392
local terms energy: -82.748483
where:
bonds (distance) C4'-P energy: -34.434
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: 6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -543.617892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.617892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.617892 (E_RNA)
where:
Base-Base interactions energy: -372.275
where: short stacking energy: -153.447
Base-Backbone interact. energy: -0.209
local terms energy: -171.133511
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -44.063
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: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -549.876021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.876021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.876021 (E_RNA)
where:
Base-Base interactions energy: -373.015
where: short stacking energy: -160.001
Base-Backbone interact. energy: -0.152
local terms energy: -176.708768
where:
bonds (distance) C4'-P energy: -38.070
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -46.007
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -493.945602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.945602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.945602 (E_RNA)
where:
Base-Base interactions energy: -332.874
where: short stacking energy: -129.221
Base-Backbone interact. energy: -0.189
local terms energy: -160.883295
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -33.028
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -36.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -479.075294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.075294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.075294 (E_RNA)
where:
Base-Base interactions energy: -316.587
where: short stacking energy: -136.936
Base-Backbone interact. energy: -0.987
local terms energy: -161.501947
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -46.818
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: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -494.512547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.512547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.512547 (E_RNA)
where:
Base-Base interactions energy: -342.828
where: short stacking energy: -142.494
Base-Backbone interact. energy: -0.029
local terms energy: -151.655681
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -42.393
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: 200
Temperature: 1.150000
Total energy: -378.744034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.744034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.744034 (E_RNA)
where:
Base-Base interactions energy: -240.964
where: short stacking energy: -104.924
Base-Backbone interact. energy: -0.977
local terms energy: -136.802415
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -21.766
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: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -399.499570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.499570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.499570 (E_RNA)
where:
Base-Base interactions energy: -264.645
where: short stacking energy: -107.677
Base-Backbone interact. energy: 0.408
local terms energy: -135.262656
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: -28.386
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: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -170.501621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.501621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.501621 (E_RNA)
where:
Base-Base interactions energy: -54.492
where: short stacking energy: -55.200
Base-Backbone interact. energy: -0.422
local terms energy: -115.587824
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -34.087
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -4.727
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: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -155.719662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.719662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.719662 (E_RNA)
where:
Base-Base interactions energy: -54.677
where: short stacking energy: -38.081
Base-Backbone interact. energy: 0.091
local terms energy: -101.132984
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: 5.351
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: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -227.307544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.307544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.307544 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -58.409
Base-Backbone interact. energy: 2.693
local terms energy: -106.110967
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -7.369
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: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -553.262145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.262145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.262145 (E_RNA)
where:
Base-Base interactions energy: -381.802
where: short stacking energy: -150.101
Base-Backbone interact. energy: -0.431
local terms energy: -171.028870
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -48.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -546.512012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.512012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.512012 (E_RNA)
where:
Base-Base interactions energy: -361.752
where: short stacking energy: -164.055
Base-Backbone interact. energy: -0.441
local terms energy: -184.319647
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -36.441
flat angles C4'-P-C4' energy: -37.954
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -53.343
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: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -521.467219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.467219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.467219 (E_RNA)
where:
Base-Base interactions energy: -363.959
where: short stacking energy: -147.596
Base-Backbone interact. energy: -0.123
local terms energy: -157.385426
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -41.023
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -500.468688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.468688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.468688 (E_RNA)
where:
Base-Base interactions energy: -332.937
where: short stacking energy: -143.494
Base-Backbone interact. energy: -1.295
local terms energy: -166.237257
where:
bonds (distance) C4'-P energy: -33.716
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -46.788
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: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -479.210589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.210589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.210589 (E_RNA)
where:
Base-Base interactions energy: -323.310
where: short stacking energy: -153.855
Base-Backbone interact. energy: -0.114
local terms energy: -155.787048
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -45.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -389.171500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.171500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.171500 (E_RNA)
where:
Base-Base interactions energy: -250.967
where: short stacking energy: -103.433
Base-Backbone interact. energy: 2.450
local terms energy: -140.655082
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -35.594
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -27.726
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: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -392.388381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.388381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.388381 (E_RNA)
where:
Base-Base interactions energy: -257.693
where: short stacking energy: -110.380
Base-Backbone interact. energy: -0.878
local terms energy: -133.818166
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -164.022326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.022326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.022326 (E_RNA)
where:
Base-Base interactions energy: -57.692
where: short stacking energy: -45.355
Base-Backbone interact. energy: -0.432
local terms energy: -105.897927
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -32.771
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -0.858
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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -150.778447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.778447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.778447 (E_RNA)
where:
Base-Base interactions energy: -51.962
where: short stacking energy: -40.686
Base-Backbone interact. energy: -0.243
local terms energy: -98.573689
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -35.520
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: 2.042
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: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -145.312387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.312387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.312387 (E_RNA)
where:
Base-Base interactions energy: -45.964
where: short stacking energy: -43.760
Base-Backbone interact. energy: -0.122
local terms energy: -99.225770
where:
bonds (distance) C4'-P energy: -32.465
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -3.120
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: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -557.021967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.021967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.021967 (E_RNA)
where:
Base-Base interactions energy: -383.987
where: short stacking energy: -162.197
Base-Backbone interact. energy: 0.183
local terms energy: -173.217327
where:
bonds (distance) C4'-P energy: -38.591
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -41.824
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: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -530.251583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.251583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.251583 (E_RNA)
where:
Base-Base interactions energy: -351.075
where: short stacking energy: -145.147
Base-Backbone interact. energy: -0.364
local terms energy: -178.813140
where:
bonds (distance) C4'-P energy: -33.248
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -47.193
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: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -521.275875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.275875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.275875 (E_RNA)
where:
Base-Base interactions energy: -346.211
where: short stacking energy: -152.441
Base-Backbone interact. energy: -0.653
local terms energy: -174.411880
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -28.799
flat angles C4'-P-C4' energy: -34.829
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: -50.627
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: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -498.436694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.436694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.436694 (E_RNA)
where:
Base-Base interactions energy: -347.183
where: short stacking energy: -143.814
Base-Backbone interact. energy: -0.599
local terms energy: -150.655058
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -30.681
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -38.712
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: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -442.512580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.512580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.512580 (E_RNA)
where:
Base-Base interactions energy: -292.353
where: short stacking energy: -127.061
Base-Backbone interact. energy: -0.118
local terms energy: -150.042127
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -37.185
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -44.647
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: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -355.292567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.292567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.292567 (E_RNA)
where:
Base-Base interactions energy: -235.984
where: short stacking energy: -109.357
Base-Backbone interact. energy: 0.444
local terms energy: -119.752592
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -17.865
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: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -387.713998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.713998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.713998 (E_RNA)
where:
Base-Base interactions energy: -261.158
where: short stacking energy: -107.906
Base-Backbone interact. energy: 1.046
local terms energy: -127.601660
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -19.141
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: 202
Temperature: 1.250000
Total energy: -212.730159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730159 (E_RNA)
where:
Base-Base interactions energy: -102.408
where: short stacking energy: -79.902
Base-Backbone interact. energy: 0.174
local terms energy: -110.496064
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -12.188
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: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -161.292337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.292337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.292337 (E_RNA)
where:
Base-Base interactions energy: -60.787
where: short stacking energy: -38.795
Base-Backbone interact. energy: 0.689
local terms energy: -101.194166
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -2.518
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: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -158.693015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.693015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.693015 (E_RNA)
where:
Base-Base interactions energy: -62.461
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.199
local terms energy: -96.033143
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -26.905
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -550.358178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.358178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.358178 (E_RNA)
where:
Base-Base interactions energy: -374.015
where: short stacking energy: -156.588
Base-Backbone interact. energy: -0.349
local terms energy: -175.993757
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -44.149
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -536.278932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.278932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.278932 (E_RNA)
where:
Base-Base interactions energy: -368.438
where: short stacking energy: -152.745
Base-Backbone interact. energy: -0.051
local terms energy: -167.789055
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -47.542
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: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -540.899688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.899688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.899688 (E_RNA)
where:
Base-Base interactions energy: -370.421
where: short stacking energy: -153.044
Base-Backbone interact. energy: -1.233
local terms energy: -169.246433
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -48.940
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: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -459.635794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.635794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.635794 (E_RNA)
where:
Base-Base interactions energy: -303.277
where: short stacking energy: -137.040
Base-Backbone interact. energy: -0.412
local terms energy: -155.946785
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -37.492
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: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -491.302208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.302208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.302208 (E_RNA)
where:
Base-Base interactions energy: -323.844
where: short stacking energy: -143.560
Base-Backbone interact. energy: -1.171
local terms energy: -166.287502
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -44.362
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: 203
Temperature: 1.150000
Total energy: -412.613288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.613288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.613288 (E_RNA)
where:
Base-Base interactions energy: -268.237
where: short stacking energy: -110.565
Base-Backbone interact. energy: -0.376
local terms energy: -144.000645
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -389.818568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.818568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.818568 (E_RNA)
where:
Base-Base interactions energy: -249.532
where: short stacking energy: -109.336
Base-Backbone interact. energy: -0.379
local terms energy: -139.907464
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -167.774825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.774825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.774825 (E_RNA)
where:
Base-Base interactions energy: -62.546
where: short stacking energy: -53.100
Base-Backbone interact. energy: -0.293
local terms energy: -104.936462
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -152.114584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.114584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.114584 (E_RNA)
where:
Base-Base interactions energy: -67.393
where: short stacking energy: -50.355
Base-Backbone interact. energy: 0.692
local terms energy: -85.413941
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -150.319499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.319499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.319499 (E_RNA)
where:
Base-Base interactions energy: -49.220
where: short stacking energy: -41.513
Base-Backbone interact. energy: -0.252
local terms energy: -100.847635
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -554.664788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.664788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.664788 (E_RNA)
where:
Base-Base interactions energy: -378.226
where: short stacking energy: -155.089
Base-Backbone interact. energy: -0.432
local terms energy: -176.007389
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -39.955
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -48.133
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: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -530.516144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.516144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.516144 (E_RNA)
where:
Base-Base interactions energy: -356.302
where: short stacking energy: -159.497
Base-Backbone interact. energy: -0.712
local terms energy: -173.502253
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -46.008
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -469.603516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.603516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.603516 (E_RNA)
where:
Base-Base interactions energy: -306.189
where: short stacking energy: -136.721
Base-Backbone interact. energy: 0.935
local terms energy: -164.350268
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -42.298
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -511.418965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.418965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.418965 (E_RNA)
where:
Base-Base interactions energy: -345.912
where: short stacking energy: -146.280
Base-Backbone interact. energy: -0.335
local terms energy: -165.171832
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -38.157
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -47.669
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: 204
Temperature: 1.100000
Total energy: -492.220774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.220774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.220774 (E_RNA)
where:
Base-Base interactions energy: -344.504
where: short stacking energy: -141.856
Base-Backbone interact. energy: 0.170
local terms energy: -147.886425
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -42.181
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: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -407.154984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.154984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.154984 (E_RNA)
where:
Base-Base interactions energy: -270.488
where: short stacking energy: -112.923
Base-Backbone interact. energy: -0.406
local terms energy: -136.261318
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -32.088
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -163.666790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.666790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.666790 (E_RNA)
where:
Base-Base interactions energy: -62.702
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.226
local terms energy: -100.738616
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: 2.076
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: 204
Temperature: 1.250000
Total energy: -355.516617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.516617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.516617 (E_RNA)
where:
Base-Base interactions energy: -229.300
where: short stacking energy: -100.954
Base-Backbone interact. energy: -0.617
local terms energy: -125.598808
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -16.185
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: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -156.698369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.698369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.698369 (E_RNA)
where:
Base-Base interactions energy: -64.409
where: short stacking energy: -52.356
Base-Backbone interact. energy: 0.874
local terms energy: -93.162699
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: 2.873
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -158.343470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.343470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343470 (E_RNA)
where:
Base-Base interactions energy: -58.324
where: short stacking energy: -50.149
Base-Backbone interact. energy: -0.352
local terms energy: -99.667454
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -4.613
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: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -559.627333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.627333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.627333 (E_RNA)
where:
Base-Base interactions energy: -379.810
where: short stacking energy: -157.279
Base-Backbone interact. energy: -0.075
local terms energy: -179.742128
where:
bonds (distance) C4'-P energy: -34.069
bonds (distance) P-C4' energy: -39.086
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -42.615
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: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -533.004676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.004676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.004676 (E_RNA)
where:
Base-Base interactions energy: -363.384
where: short stacking energy: -159.595
Base-Backbone interact. energy: 1.592
local terms energy: -171.212669
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -30.662
tors. eta vs tors. theta energy: -45.498
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: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -492.500332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.500332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.500332 (E_RNA)
where:
Base-Base interactions energy: -321.745
where: short stacking energy: -147.559
Base-Backbone interact. energy: 0.498
local terms energy: -171.252653
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -39.667
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -40.407
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -517.117923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.117923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.117923 (E_RNA)
where:
Base-Base interactions energy: -357.158
where: short stacking energy: -155.946
Base-Backbone interact. energy: -0.520
local terms energy: -159.439052
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -50.820
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: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -497.638365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.638365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.638365 (E_RNA)
where:
Base-Base interactions energy: -354.773
where: short stacking energy: -145.427
Base-Backbone interact. energy: -0.163
local terms energy: -142.702321
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -35.904
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -37.169
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: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -384.502437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.502437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.502437 (E_RNA)
where:
Base-Base interactions energy: -256.286
where: short stacking energy: -114.416
Base-Backbone interact. energy: -0.147
local terms energy: -128.068912
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -31.929
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: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -180.714112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.714112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.714112 (E_RNA)
where:
Base-Base interactions energy: -70.058
where: short stacking energy: -53.783
Base-Backbone interact. energy: 0.192
local terms energy: -110.847891
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -30.370
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -1.422
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: 205
Temperature: 1.250000
Total energy: -402.311791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.311791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.311791 (E_RNA)
where:
Base-Base interactions energy: -270.203
where: short stacking energy: -105.639
Base-Backbone interact. energy: -0.126
local terms energy: -131.982192
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -35.267
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -180.825841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.825841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.825841 (E_RNA)
where:
Base-Base interactions energy: -76.161
where: short stacking energy: -49.274
Base-Backbone interact. energy: 1.661
local terms energy: -106.325680
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -2.231
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: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -138.193183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.193183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.193183 (E_RNA)
where:
Base-Base interactions energy: -55.036
where: short stacking energy: -51.950
Base-Backbone interact. energy: -0.733
local terms energy: -82.423986
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: 3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -545.366715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.366715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.366715 (E_RNA)
where:
Base-Base interactions energy: -370.623
where: short stacking energy: -166.308
Base-Backbone interact. energy: -0.288
local terms energy: -174.455851
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -46.896
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: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -548.005632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.005632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.005632 (E_RNA)
where:
Base-Base interactions energy: -374.419
where: short stacking energy: -152.073
Base-Backbone interact. energy: 0.346
local terms energy: -173.933507
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -46.436
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: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -488.724330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.724330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.724330 (E_RNA)
where:
Base-Base interactions energy: -328.344
where: short stacking energy: -145.358
Base-Backbone interact. energy: -0.266
local terms energy: -160.114298
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -46.488
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -531.612687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.612687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.612687 (E_RNA)
where:
Base-Base interactions energy: -375.402
where: short stacking energy: -156.577
Base-Backbone interact. energy: -0.341
local terms energy: -155.869620
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -36.345
flat angles C4'-P-C4' energy: -33.247
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -48.446
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: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -503.103611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.103611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.103611 (E_RNA)
where:
Base-Base interactions energy: -342.392
where: short stacking energy: -144.459
Base-Backbone interact. energy: -0.768
local terms energy: -159.942822
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -43.966
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -387.697035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.697035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.697035 (E_RNA)
where:
Base-Base interactions energy: -246.956
where: short stacking energy: -113.742
Base-Backbone interact. energy: -0.569
local terms energy: -140.172113
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -28.621
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: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -407.691667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.691667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.691667 (E_RNA)
where:
Base-Base interactions energy: -276.179
where: short stacking energy: -114.168
Base-Backbone interact. energy: -0.321
local terms energy: -131.190885
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -27.902
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: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -168.106694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.106694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.106694 (E_RNA)
where:
Base-Base interactions energy: -70.123
where: short stacking energy: -59.389
Base-Backbone interact. energy: 2.112
local terms energy: -100.096040
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -4.122
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: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -153.632642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.632642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.632642 (E_RNA)
where:
Base-Base interactions energy: -57.410
where: short stacking energy: -52.150
Base-Backbone interact. energy: 1.393
local terms energy: -97.615401
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -4.720
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -157.081719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.081719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.081719 (E_RNA)
where:
Base-Base interactions energy: -42.478
where: short stacking energy: -39.564
Base-Backbone interact. energy: -0.033
local terms energy: -114.571345
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -6.731
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: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -549.465375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.465375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.465375 (E_RNA)
where:
Base-Base interactions energy: -372.066
where: short stacking energy: -163.872
Base-Backbone interact. energy: 0.206
local terms energy: -177.605619
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -29.728
tors. eta vs tors. theta energy: -51.436
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: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -527.738939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.738939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.738939 (E_RNA)
where:
Base-Base interactions energy: -366.888
where: short stacking energy: -148.704
Base-Backbone interact. energy: -0.604
local terms energy: -160.246920
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -41.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -488.493246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.493246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.493246 (E_RNA)
where:
Base-Base interactions energy: -311.987
where: short stacking energy: -142.341
Base-Backbone interact. energy: -0.521
local terms energy: -175.985367
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -34.558
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -46.394
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -526.484674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.484674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.484674 (E_RNA)
where:
Base-Base interactions energy: -352.030
where: short stacking energy: -148.205
Base-Backbone interact. energy: -0.496
local terms energy: -173.959510
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -49.294
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: 207
Temperature: 1.100000
Total energy: -498.236264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.236264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.236264 (E_RNA)
where:
Base-Base interactions energy: -338.710
where: short stacking energy: -147.717
Base-Backbone interact. energy: -1.521
local terms energy: -158.005187
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -43.127
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: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -433.526219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.526219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.526219 (E_RNA)
where:
Base-Base interactions energy: -287.860
where: short stacking energy: -122.339
Base-Backbone interact. energy: 0.130
local terms energy: -145.796061
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -32.746
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -35.040
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: 207
Temperature: 1.200000
Total energy: -375.372378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.372378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.372378 (E_RNA)
where:
Base-Base interactions energy: -244.754
where: short stacking energy: -99.652
Base-Backbone interact. energy: 0.501
local terms energy: -131.119316
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -23.454
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: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -177.061582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.061582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.061582 (E_RNA)
where:
Base-Base interactions energy: -86.426
where: short stacking energy: -57.761
Base-Backbone interact. energy: -1.323
local terms energy: -89.312341
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -5.616
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: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -155.546514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.546514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.546514 (E_RNA)
where:
Base-Base interactions energy: -50.547
where: short stacking energy: -49.455
Base-Backbone interact. energy: -0.467
local terms energy: -104.532090
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -150.081570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.081570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.081570 (E_RNA)
where:
Base-Base interactions energy: -71.711
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.672
local terms energy: -77.698087
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: 8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -551.789635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.789635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.789635 (E_RNA)
where:
Base-Base interactions energy: -376.178
where: short stacking energy: -154.709
Base-Backbone interact. energy: -0.788
local terms energy: -174.823751
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -47.265
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: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -544.236673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.236673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.236673 (E_RNA)
where:
Base-Base interactions energy: -370.243
where: short stacking energy: -164.333
Base-Backbone interact. energy: -0.098
local terms energy: -173.895759
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -24.089
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: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -527.438435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.438435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.438435 (E_RNA)
where:
Base-Base interactions energy: -354.510
where: short stacking energy: -146.036
Base-Backbone interact. energy: 0.997
local terms energy: -173.924778
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -35.011
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -47.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -467.183472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.183472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.183472 (E_RNA)
where:
Base-Base interactions energy: -305.954
where: short stacking energy: -131.515
Base-Backbone interact. energy: -0.014
local terms energy: -161.216276
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -44.431
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -506.132311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.132311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.132311 (E_RNA)
where:
Base-Base interactions energy: -345.799
where: short stacking energy: -142.722
Base-Backbone interact. energy: -0.520
local terms energy: -159.813106
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -44.119
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: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -421.779100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.779100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.779100 (E_RNA)
where:
Base-Base interactions energy: -277.845
where: short stacking energy: -108.554
Base-Backbone interact. energy: 0.768
local terms energy: -144.702263
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -36.131
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -28.006
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: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -390.561765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.561765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.561765 (E_RNA)
where:
Base-Base interactions energy: -253.748
where: short stacking energy: -114.543
Base-Backbone interact. energy: -0.912
local terms energy: -135.901804
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -160.015291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.015291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.015291 (E_RNA)
where:
Base-Base interactions energy: -54.796
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.500
local terms energy: -104.719480
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -31.176
flat angles C4'-P-C4' energy: -27.103
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -144.764305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.764305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.764305 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -38.974
Base-Backbone interact. energy: 1.580
local terms energy: -101.647441
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -14.799
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: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -145.742751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.742751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.742751 (E_RNA)
where:
Base-Base interactions energy: -68.879
where: short stacking energy: -40.605
Base-Backbone interact. energy: 1.247
local terms energy: -78.111127
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: 3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -554.893419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.893419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.893419 (E_RNA)
where:
Base-Base interactions energy: -375.138
where: short stacking energy: -154.131
Base-Backbone interact. energy: -0.610
local terms energy: -179.145489
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -40.305
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: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -535.187251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.187251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.187251 (E_RNA)
where:
Base-Base interactions energy: -369.969
where: short stacking energy: -154.436
Base-Backbone interact. energy: -0.146
local terms energy: -165.072080
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -15.411
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: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -524.583471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.583471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.583471 (E_RNA)
where:
Base-Base interactions energy: -356.129
where: short stacking energy: -149.692
Base-Backbone interact. energy: -0.806
local terms energy: -167.648471
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -46.562
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: 209
Temperature: 1.050000
Total energy: -514.773689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.773689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.773689 (E_RNA)
where:
Base-Base interactions energy: -360.907
where: short stacking energy: -160.055
Base-Backbone interact. energy: -0.463
local terms energy: -153.403864
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -37.659
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -45.148
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: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -463.566232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.566232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.566232 (E_RNA)
where:
Base-Base interactions energy: -309.197
where: short stacking energy: -132.790
Base-Backbone interact. energy: -0.422
local terms energy: -153.946843
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -40.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -443.383353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.383353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.383353 (E_RNA)
where:
Base-Base interactions energy: -300.769
where: short stacking energy: -124.188
Base-Backbone interact. energy: -0.956
local terms energy: -141.659209
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -37.217
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -36.417
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: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -346.241677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.241677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.241677 (E_RNA)
where:
Base-Base interactions energy: -217.503
where: short stacking energy: -87.981
Base-Backbone interact. energy: 2.356
local terms energy: -131.094648
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -22.123
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: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -168.978851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.978851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.978851 (E_RNA)
where:
Base-Base interactions energy: -65.527
where: short stacking energy: -63.534
Base-Backbone interact. energy: 1.462
local terms energy: -104.913954
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -160.967726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.967726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.967726 (E_RNA)
where:
Base-Base interactions energy: -58.735
where: short stacking energy: -46.015
Base-Backbone interact. energy: 0.288
local terms energy: -102.520447
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: 5.831
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: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -161.288145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.288145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.288145 (E_RNA)
where:
Base-Base interactions energy: -76.956
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.823
local terms energy: -83.509084
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -553.869235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.869235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.869235 (E_RNA)
where:
Base-Base interactions energy: -381.421
where: short stacking energy: -157.724
Base-Backbone interact. energy: -0.425
local terms energy: -172.023424
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -29.733
tors. eta vs tors. theta energy: -43.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -541.384021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.384021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.384021 (E_RNA)
where:
Base-Base interactions energy: -374.253
where: short stacking energy: -164.074
Base-Backbone interact. energy: -0.985
local terms energy: -166.146333
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -51.150
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: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -528.688416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.688416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.688416 (E_RNA)
where:
Base-Base interactions energy: -361.031
where: short stacking energy: -157.700
Base-Backbone interact. energy: 0.145
local terms energy: -167.802905
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -45.354
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -519.783365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.783365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.783365 (E_RNA)
where:
Base-Base interactions energy: -354.564
where: short stacking energy: -147.563
Base-Backbone interact. energy: -0.340
local terms energy: -164.879019
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -36.490
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -46.909
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -460.945116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.945116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.945116 (E_RNA)
where:
Base-Base interactions energy: -313.884
where: short stacking energy: -121.599
Base-Backbone interact. energy: -0.138
local terms energy: -146.923308
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -34.531
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -33.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -446.625783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.625783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.625783 (E_RNA)
where:
Base-Base interactions energy: -291.178
where: short stacking energy: -129.546
Base-Backbone interact. energy: -0.930
local terms energy: -154.518288
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -33.014
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -37.855
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: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -358.337610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.337610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.337610 (E_RNA)
where:
Base-Base interactions energy: -235.335
where: short stacking energy: -103.266
Base-Backbone interact. energy: -0.518
local terms energy: -122.484941
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -33.134
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -26.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -166.508703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.508703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.508703 (E_RNA)
where:
Base-Base interactions energy: -62.109
where: short stacking energy: -31.108
Base-Backbone interact. energy: -0.737
local terms energy: -103.663163
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: 0.584
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: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -170.240017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.240017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.240017 (E_RNA)
where:
Base-Base interactions energy: -76.124
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.704
local terms energy: -93.412288
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -6.912
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: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -145.231269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.231269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.231269 (E_RNA)
where:
Base-Base interactions energy: -44.201
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.380
local terms energy: -100.650322
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -556.899659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.899659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.899659 (E_RNA)
where:
Base-Base interactions energy: -374.709
where: short stacking energy: -164.356
Base-Backbone interact. energy: -0.421
local terms energy: -181.769328
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -47.867
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: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -525.554617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.554617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.554617 (E_RNA)
where:
Base-Base interactions energy: -348.052
where: short stacking energy: -144.442
Base-Backbone interact. energy: -1.342
local terms energy: -176.160396
where:
bonds (distance) C4'-P energy: -35.690
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -43.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -530.581738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.581738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.581738 (E_RNA)
where:
Base-Base interactions energy: -355.658
where: short stacking energy: -159.578
Base-Backbone interact. energy: -0.679
local terms energy: -174.244956
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -35.804
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -24.972
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: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -526.372249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.372249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.372249 (E_RNA)
where:
Base-Base interactions energy: -355.158
where: short stacking energy: -143.627
Base-Backbone interact. energy: 1.581
local terms energy: -172.794748
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -48.898
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: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -471.287147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.287147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.287147 (E_RNA)
where:
Base-Base interactions energy: -319.010
where: short stacking energy: -129.788
Base-Backbone interact. energy: -0.680
local terms energy: -151.596893
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -357.871934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.871934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.871934 (E_RNA)
where:
Base-Base interactions energy: -217.555
where: short stacking energy: -98.678
Base-Backbone interact. energy: -0.863
local terms energy: -139.454164
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -37.379
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -20.272
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: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -446.079385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.079385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.079385 (E_RNA)
where:
Base-Base interactions energy: -284.011
where: short stacking energy: -134.430
Base-Backbone interact. energy: 0.317
local terms energy: -162.385492
where:
bonds (distance) C4'-P energy: -35.217
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -39.679
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: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -170.243839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.243839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.243839 (E_RNA)
where:
Base-Base interactions energy: -77.696
where: short stacking energy: -57.653
Base-Backbone interact. energy: 0.708
local terms energy: -93.255876
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -151.963870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.963870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.963870 (E_RNA)
where:
Base-Base interactions energy: -52.914
where: short stacking energy: -54.214
Base-Backbone interact. energy: 1.222
local terms energy: -100.272347
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -139.750885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.750885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.750885 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -33.701
Base-Backbone interact. energy: -0.777
local terms energy: -103.122249
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: 3.654
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: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -538.111688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.111688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.111688 (E_RNA)
where:
Base-Base interactions energy: -354.776
where: short stacking energy: -161.438
Base-Backbone interact. energy: -0.015
local terms energy: -183.320940
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -50.137
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: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -533.675722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.675722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.675722 (E_RNA)
where:
Base-Base interactions energy: -367.435
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.213
local terms energy: -166.027419
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -33.177
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -43.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -523.339484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.339484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.339484 (E_RNA)
where:
Base-Base interactions energy: -348.757
where: short stacking energy: -146.807
Base-Backbone interact. energy: -0.280
local terms energy: -174.301838
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -35.748
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -46.465
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: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -509.095669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.095669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.095669 (E_RNA)
where:
Base-Base interactions energy: -340.231
where: short stacking energy: -151.108
Base-Backbone interact. energy: -1.024
local terms energy: -167.841061
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -44.061
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: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -454.673678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.673678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.673678 (E_RNA)
where:
Base-Base interactions energy: -293.819
where: short stacking energy: -134.212
Base-Backbone interact. energy: -0.111
local terms energy: -160.744445
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -38.029
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -40.918
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: 212
Temperature: 1.150000
Total energy: -331.872168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.872168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.872168 (E_RNA)
where:
Base-Base interactions energy: -202.031
where: short stacking energy: -90.931
Base-Backbone interact. energy: -0.866
local terms energy: -128.974560
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -29.644
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -438.151378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.151378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.151378 (E_RNA)
where:
Base-Base interactions energy: -289.314
where: short stacking energy: -123.473
Base-Backbone interact. energy: -0.510
local terms energy: -148.327473
where:
bonds (distance) C4'-P energy: -32.675
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -169.124941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.124941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.124941 (E_RNA)
where:
Base-Base interactions energy: -66.910
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.135
local terms energy: -102.080755
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -5.445
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: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -252.485667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.485667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.485667 (E_RNA)
where:
Base-Base interactions energy: -143.832
where: short stacking energy: -69.653
Base-Backbone interact. energy: 0.896
local terms energy: -109.550064
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -16.342
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: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -153.843921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.843921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.843921 (E_RNA)
where:
Base-Base interactions energy: -58.287
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.364
local terms energy: -95.192600
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -15.022
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: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -554.216125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.216125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.216125 (E_RNA)
where:
Base-Base interactions energy: -377.279
where: short stacking energy: -162.899
Base-Backbone interact. energy: -0.730
local terms energy: -176.207522
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -38.153
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -50.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -537.657383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.657383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.657383 (E_RNA)
where:
Base-Base interactions energy: -361.552
where: short stacking energy: -148.892
Base-Backbone interact. energy: -1.865
local terms energy: -174.240413
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -22.505
tors. eta vs tors. theta energy: -46.782
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: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -515.501959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.501959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.501959 (E_RNA)
where:
Base-Base interactions energy: -353.141
where: short stacking energy: -144.493
Base-Backbone interact. energy: -1.125
local terms energy: -161.236105
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -46.040
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: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -519.399028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.399028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.399028 (E_RNA)
where:
Base-Base interactions energy: -354.916
where: short stacking energy: -150.451
Base-Backbone interact. energy: 0.464
local terms energy: -164.947000
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -474.027700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.027700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.027700 (E_RNA)
where:
Base-Base interactions energy: -325.855
where: short stacking energy: -131.630
Base-Backbone interact. energy: -0.133
local terms energy: -148.038998
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -37.413
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: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -441.513316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.513316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.513316 (E_RNA)
where:
Base-Base interactions energy: -291.012
where: short stacking energy: -128.590
Base-Backbone interact. energy: -0.500
local terms energy: -150.001489
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -39.561
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: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -333.953741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.953741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.953741 (E_RNA)
where:
Base-Base interactions energy: -200.711
where: short stacking energy: -86.209
Base-Backbone interact. energy: -0.461
local terms energy: -132.781571
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -31.819
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -26.350
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -254.475959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.475959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.475959 (E_RNA)
where:
Base-Base interactions energy: -141.315
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.110
local terms energy: -113.051008
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -12.430
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: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -154.523318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.523318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.523318 (E_RNA)
where:
Base-Base interactions energy: -49.345
where: short stacking energy: -48.175
Base-Backbone interact. energy: -0.687
local terms energy: -104.490683
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -0.721
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: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -133.074667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.074667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.074667 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -32.989
Base-Backbone interact. energy: 0.467
local terms energy: -97.778708
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: 4.838
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: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -553.927923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.927923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.927923 (E_RNA)
where:
Base-Base interactions energy: -383.260
where: short stacking energy: -154.494
Base-Backbone interact. energy: -1.129
local terms energy: -169.538845
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: -48.894
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: 214
Temperature: 0.950000
Total energy: -533.477314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.477314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.477314 (E_RNA)
where:
Base-Base interactions energy: -360.298
where: short stacking energy: -162.305
Base-Backbone interact. energy: -1.063
local terms energy: -172.116153
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -51.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -530.593938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.593938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.593938 (E_RNA)
where:
Base-Base interactions energy: -354.415
where: short stacking energy: -145.696
Base-Backbone interact. energy: -0.309
local terms energy: -175.870230
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -48.694
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: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -520.442874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.442874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.442874 (E_RNA)
where:
Base-Base interactions energy: -358.001
where: short stacking energy: -153.555
Base-Backbone interact. energy: -0.559
local terms energy: -161.882963
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -42.160
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: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -480.359834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.359834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.359834 (E_RNA)
where:
Base-Base interactions energy: -323.557
where: short stacking energy: -133.136
Base-Backbone interact. energy: -0.848
local terms energy: -155.954471
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -37.414
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: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -436.881880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.881880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.881880 (E_RNA)
where:
Base-Base interactions energy: -295.622
where: short stacking energy: -134.998
Base-Backbone interact. energy: -0.546
local terms energy: -140.714058
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -33.180
flat angles C4'-P-C4' energy: -29.811
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -348.269667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.269667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.269667 (E_RNA)
where:
Base-Base interactions energy: -213.893
where: short stacking energy: -95.470
Base-Backbone interact. energy: -0.471
local terms energy: -133.905343
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -26.694
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: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -265.803642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.803642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.803642 (E_RNA)
where:
Base-Base interactions energy: -146.893
where: short stacking energy: -68.062
Base-Backbone interact. energy: 0.135
local terms energy: -119.045990
where:
bonds (distance) C4'-P energy: -34.514
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -12.718
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: 214
Temperature: 1.300000
Total energy: -147.824564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.824564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.824564 (E_RNA)
where:
Base-Base interactions energy: -50.786
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.688
local terms energy: -96.350063
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: 2.066
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: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -157.544014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.544014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.544014 (E_RNA)
where:
Base-Base interactions energy: -75.704
where: short stacking energy: -49.189
Base-Backbone interact. energy: 0.028
local terms energy: -81.867680
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: 0.924
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: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -561.366586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.366586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.366586 (E_RNA)
where:
Base-Base interactions energy: -389.696
where: short stacking energy: -163.859
Base-Backbone interact. energy: -0.721
local terms energy: -170.949201
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -48.487
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -533.682710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.682710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.682710 (E_RNA)
where:
Base-Base interactions energy: -373.922
where: short stacking energy: -148.277
Base-Backbone interact. energy: -0.787
local terms energy: -158.973076
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -42.457
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: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -517.065796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.065796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.065796 (E_RNA)
where:
Base-Base interactions energy: -348.296
where: short stacking energy: -148.824
Base-Backbone interact. energy: -0.579
local terms energy: -168.189984
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -47.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -516.431064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.431064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.431064 (E_RNA)
where:
Base-Base interactions energy: -350.140
where: short stacking energy: -156.039
Base-Backbone interact. energy: -0.003
local terms energy: -166.287973
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -47.185
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: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -469.141930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.141930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.141930 (E_RNA)
where:
Base-Base interactions energy: -312.673
where: short stacking energy: -134.658
Base-Backbone interact. energy: -0.118
local terms energy: -156.351310
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -39.024
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: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -438.695713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.695713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.695713 (E_RNA)
where:
Base-Base interactions energy: -290.841
where: short stacking energy: -132.942
Base-Backbone interact. energy: -0.309
local terms energy: -147.546270
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -40.849
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -338.719244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.719244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.719244 (E_RNA)
where:
Base-Base interactions energy: -221.524
where: short stacking energy: -97.563
Base-Backbone interact. energy: -0.861
local terms energy: -116.334498
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -19.885
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: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -307.847438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.847438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.847438 (E_RNA)
where:
Base-Base interactions energy: -179.295
where: short stacking energy: -83.338
Base-Backbone interact. energy: 0.062
local terms energy: -128.614729
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -23.178
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: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -159.933756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.933756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.933756 (E_RNA)
where:
Base-Base interactions energy: -70.302
where: short stacking energy: -45.992
Base-Backbone interact. energy: 0.137
local terms energy: -89.768913
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -1.097
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: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -138.785366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.785366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.785366 (E_RNA)
where:
Base-Base interactions energy: -49.526
where: short stacking energy: -43.857
Base-Backbone interact. energy: -0.435
local terms energy: -88.824075
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: 3.993
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: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -544.149849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.149849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.149849 (E_RNA)
where:
Base-Base interactions energy: -370.374
where: short stacking energy: -161.797
Base-Backbone interact. energy: -0.539
local terms energy: -173.236963
where:
bonds (distance) C4'-P energy: -37.939
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -25.308
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: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -532.303561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.303561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.303561 (E_RNA)
where:
Base-Base interactions energy: -359.701
where: short stacking energy: -148.758
Base-Backbone interact. energy: -1.377
local terms energy: -171.225257
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -33.672
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -47.127
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: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -514.667362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.667362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.667362 (E_RNA)
where:
Base-Base interactions energy: -342.197
where: short stacking energy: -139.880
Base-Backbone interact. energy: 0.109
local terms energy: -172.579031
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -36.356
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -47.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -507.893569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.893569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.893569 (E_RNA)
where:
Base-Base interactions energy: -348.487
where: short stacking energy: -143.211
Base-Backbone interact. energy: -0.138
local terms energy: -159.268009
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -29.501
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -41.612
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: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -479.309027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.309027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.309027 (E_RNA)
where:
Base-Base interactions energy: -320.632
where: short stacking energy: -126.103
Base-Backbone interact. energy: -0.129
local terms energy: -158.548382
where:
bonds (distance) C4'-P energy: -29.290
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -37.040
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: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -446.442970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.442970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.442970 (E_RNA)
where:
Base-Base interactions energy: -289.577
where: short stacking energy: -138.725
Base-Backbone interact. energy: -0.493
local terms energy: -156.372919
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -43.270
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -342.549257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.549257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.549257 (E_RNA)
where:
Base-Base interactions energy: -227.001
where: short stacking energy: -90.021
Base-Backbone interact. energy: -0.997
local terms energy: -114.550434
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -20.510
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: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -310.659315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.659315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.659315 (E_RNA)
where:
Base-Base interactions energy: -201.628
where: short stacking energy: -98.986
Base-Backbone interact. energy: 1.536
local terms energy: -110.567601
where:
bonds (distance) C4'-P energy: -27.058
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -20.149
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: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -148.197822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.197822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.197822 (E_RNA)
where:
Base-Base interactions energy: -55.434
where: short stacking energy: -30.738
Base-Backbone interact. energy: -1.192
local terms energy: -91.571521
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: 6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -132.764362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.764362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.764362 (E_RNA)
where:
Base-Base interactions energy: -36.676
where: short stacking energy: -28.530
Base-Backbone interact. energy: 0.237
local terms energy: -96.324735
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: 6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -548.007980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.007980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.007980 (E_RNA)
where:
Base-Base interactions energy: -368.493
where: short stacking energy: -167.937
Base-Backbone interact. energy: 0.797
local terms energy: -180.312474
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -36.832
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -47.531
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -522.871568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.871568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.871568 (E_RNA)
where:
Base-Base interactions energy: -356.977
where: short stacking energy: -160.307
Base-Backbone interact. energy: -0.730
local terms energy: -165.164774
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -32.082
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -48.015
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: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -516.956142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.956142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.956142 (E_RNA)
where:
Base-Base interactions energy: -351.445
where: short stacking energy: -143.302
Base-Backbone interact. energy: -0.431
local terms energy: -165.080740
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -44.378
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: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -496.073494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.073494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.073494 (E_RNA)
where:
Base-Base interactions energy: -335.007
where: short stacking energy: -139.735
Base-Backbone interact. energy: -0.021
local terms energy: -161.045048
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -40.303
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: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -520.967916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.967916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.967916 (E_RNA)
where:
Base-Base interactions energy: -360.553
where: short stacking energy: -154.136
Base-Backbone interact. energy: -0.785
local terms energy: -159.629106
where:
bonds (distance) C4'-P energy: -30.821
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -451.195474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.195474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.195474 (E_RNA)
where:
Base-Base interactions energy: -301.423
where: short stacking energy: -140.043
Base-Backbone interact. energy: -0.119
local terms energy: -149.654454
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -36.784
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: 217
Temperature: 1.200000
Total energy: -380.554605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.554605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.554605 (E_RNA)
where:
Base-Base interactions energy: -253.815
where: short stacking energy: -88.458
Base-Backbone interact. energy: -1.213
local terms energy: -125.526408
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -24.278
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: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -167.196149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.196149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.196149 (E_RNA)
where:
Base-Base interactions energy: -64.677
where: short stacking energy: -40.114
Base-Backbone interact. energy: -0.577
local terms energy: -101.941701
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -33.209
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: 2.361
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: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -194.341426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.341426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.341426 (E_RNA)
where:
Base-Base interactions energy: -92.017
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.720
local terms energy: -101.604457
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -6.821
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: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -166.747661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.747661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.747661 (E_RNA)
where:
Base-Base interactions energy: -58.758
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.674
local terms energy: -107.316173
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -11.021
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: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -533.168723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.168723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.168723 (E_RNA)
where:
Base-Base interactions energy: -355.346
where: short stacking energy: -143.912
Base-Backbone interact. energy: -1.473
local terms energy: -176.349132
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -47.163
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: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -547.107434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.107434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.107434 (E_RNA)
where:
Base-Base interactions energy: -366.341
where: short stacking energy: -154.366
Base-Backbone interact. energy: -0.247
local terms energy: -180.519374
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -34.748
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -48.474
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: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -488.550192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.550192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.550192 (E_RNA)
where:
Base-Base interactions energy: -318.822
where: short stacking energy: -137.783
Base-Backbone interact. energy: 0.461
local terms energy: -170.188490
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -39.197
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -43.340
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -490.139820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.139820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.139820 (E_RNA)
where:
Base-Base interactions energy: -334.979
where: short stacking energy: -146.808
Base-Backbone interact. energy: 1.195
local terms energy: -156.356161
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -45.729
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: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -517.100209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.100209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.100209 (E_RNA)
where:
Base-Base interactions energy: -347.048
where: short stacking energy: -140.414
Base-Backbone interact. energy: -0.605
local terms energy: -169.447617
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -35.278
flat angles C4'-P-C4' energy: -36.000
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -39.589
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: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -429.051929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.051929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.051929 (E_RNA)
where:
Base-Base interactions energy: -293.244
where: short stacking energy: -116.324
Base-Backbone interact. energy: 0.279
local terms energy: -136.086371
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -33.172
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: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -400.642608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.642608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.642608 (E_RNA)
where:
Base-Base interactions energy: -271.171
where: short stacking energy: -114.497
Base-Backbone interact. energy: 0.873
local terms energy: -130.345093
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -155.778290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.778290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.778290 (E_RNA)
where:
Base-Base interactions energy: -58.168
where: short stacking energy: -55.455
Base-Backbone interact. energy: 1.252
local terms energy: -98.862308
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -18.012
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: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -161.070691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.070691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.070691 (E_RNA)
where:
Base-Base interactions energy: -61.971
where: short stacking energy: -50.782
Base-Backbone interact. energy: -0.329
local terms energy: -98.770302
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -167.376515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.376515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.376515 (E_RNA)
where:
Base-Base interactions energy: -73.394
where: short stacking energy: -54.742
Base-Backbone interact. energy: 0.410
local terms energy: -94.392123
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: 3.072
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: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -551.629792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.629792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.629792 (E_RNA)
where:
Base-Base interactions energy: -373.405
where: short stacking energy: -163.037
Base-Backbone interact. energy: -0.456
local terms energy: -177.768759
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -44.985
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: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -543.226095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.226095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.226095 (E_RNA)
where:
Base-Base interactions energy: -362.162
where: short stacking energy: -158.963
Base-Backbone interact. energy: -0.315
local terms energy: -180.749764
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -46.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -498.594094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.594094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.594094 (E_RNA)
where:
Base-Base interactions energy: -327.255
where: short stacking energy: -139.593
Base-Backbone interact. energy: -0.793
local terms energy: -170.546092
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -45.126
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: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -501.502956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.502956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.502956 (E_RNA)
where:
Base-Base interactions energy: -339.898
where: short stacking energy: -139.144
Base-Backbone interact. energy: -0.587
local terms energy: -161.018721
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -35.303
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: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -509.703771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.703771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.703771 (E_RNA)
where:
Base-Base interactions energy: -343.979
where: short stacking energy: -147.694
Base-Backbone interact. energy: -0.214
local terms energy: -165.510358
where:
bonds (distance) C4'-P energy: -29.302
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -44.888
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: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -394.371192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.371192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.371192 (E_RNA)
where:
Base-Base interactions energy: -252.330
where: short stacking energy: -98.885
Base-Backbone interact. energy: -1.200
local terms energy: -140.841355
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -24.866
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: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -408.678568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.678568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.678568 (E_RNA)
where:
Base-Base interactions energy: -269.751
where: short stacking energy: -107.889
Base-Backbone interact. energy: -0.606
local terms energy: -138.321269
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -29.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -184.601297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.601297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.601297 (E_RNA)
where:
Base-Base interactions energy: -78.197
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.509
local terms energy: -105.894960
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -143.731370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.731370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.731370 (E_RNA)
where:
Base-Base interactions energy: -59.532
where: short stacking energy: -40.405
Base-Backbone interact. energy: 0.362
local terms energy: -84.561087
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: 5.504
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: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -161.419029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.419029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.419029 (E_RNA)
where:
Base-Base interactions energy: -54.281
where: short stacking energy: -49.228
Base-Backbone interact. energy: 0.383
local terms energy: -107.521377
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: 0.357
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: 220
Temperature: 0.900000
Total energy: -545.164199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.164199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.164199 (E_RNA)
where:
Base-Base interactions energy: -369.502
where: short stacking energy: -162.831
Base-Backbone interact. energy: 0.022
local terms energy: -175.684056
where:
bonds (distance) C4'-P energy: -33.566
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -40.938
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -44.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -534.953058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.953058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.953058 (E_RNA)
where:
Base-Base interactions energy: -371.614
where: short stacking energy: -160.978
Base-Backbone interact. energy: -0.993
local terms energy: -162.346201
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -48.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -518.721463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.721463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.721463 (E_RNA)
where:
Base-Base interactions energy: -343.898
where: short stacking energy: -152.434
Base-Backbone interact. energy: -1.450
local terms energy: -173.372810
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -42.274
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: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -494.904314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.904314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.904314 (E_RNA)
where:
Base-Base interactions energy: -344.219
where: short stacking energy: -127.753
Base-Backbone interact. energy: -0.178
local terms energy: -150.507171
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -35.522
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: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -491.421669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.421669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.421669 (E_RNA)
where:
Base-Base interactions energy: -351.056
where: short stacking energy: -145.990
Base-Backbone interact. energy: 1.022
local terms energy: -141.387979
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -44.164
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: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -388.205622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.205622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.205622 (E_RNA)
where:
Base-Base interactions energy: -259.798
where: short stacking energy: -104.346
Base-Backbone interact. energy: -0.228
local terms energy: -128.179216
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -438.255490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.255490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.255490 (E_RNA)
where:
Base-Base interactions energy: -284.305
where: short stacking energy: -134.419
Base-Backbone interact. energy: -0.282
local terms energy: -153.668395
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -38.231
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: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -195.970892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970892 (E_RNA)
where:
Base-Base interactions energy: -89.477
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.420
local terms energy: -106.073842
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -6.253
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: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -148.524704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.524704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.524704 (E_RNA)
where:
Base-Base interactions energy: -53.304
where: short stacking energy: -40.766
Base-Backbone interact. energy: -0.435
local terms energy: -94.786314
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: 1.871
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: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -148.322173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.322173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.322173 (E_RNA)
where:
Base-Base interactions energy: -57.298
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.460
local terms energy: -90.564999
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: 5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -553.833179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.833179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.833179 (E_RNA)
where:
Base-Base interactions energy: -374.761
where: short stacking energy: -162.912
Base-Backbone interact. energy: 0.614
local terms energy: -179.686249
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -40.118
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -50.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -545.516004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.516004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.516004 (E_RNA)
where:
Base-Base interactions energy: -374.311
where: short stacking energy: -155.031
Base-Backbone interact. energy: -0.109
local terms energy: -171.095498
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -34.706
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -46.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -511.793780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.793780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.793780 (E_RNA)
where:
Base-Base interactions energy: -355.194
where: short stacking energy: -150.528
Base-Backbone interact. energy: 0.302
local terms energy: -156.901812
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -42.025
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: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -530.211637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.211637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.211637 (E_RNA)
where:
Base-Base interactions energy: -369.019
where: short stacking energy: -155.741
Base-Backbone interact. energy: -0.283
local terms energy: -160.909899
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -44.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -473.802254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.802254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.802254 (E_RNA)
where:
Base-Base interactions energy: -311.034
where: short stacking energy: -134.996
Base-Backbone interact. energy: -0.331
local terms energy: -162.437264
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -39.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -472.344783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.344783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.344783 (E_RNA)
where:
Base-Base interactions energy: -312.522
where: short stacking energy: -137.798
Base-Backbone interact. energy: -0.254
local terms energy: -159.568478
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -45.534
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: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -377.314802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.314802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.314802 (E_RNA)
where:
Base-Base interactions energy: -245.048
where: short stacking energy: -96.575
Base-Backbone interact. energy: -1.111
local terms energy: -131.155620
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -171.813292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.813292 (E_RNA)
where:
Base-Base interactions energy: -62.772
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.382
local terms energy: -108.658567
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -1.982
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: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -150.839547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.839547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.839547 (E_RNA)
where:
Base-Base interactions energy: -54.004
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.749
local terms energy: -96.086053
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -8.812
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: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -155.226427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.226427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.226427 (E_RNA)
where:
Base-Base interactions energy: -70.235
where: short stacking energy: -49.861
Base-Backbone interact. energy: 1.527
local terms energy: -86.517664
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -2.300
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: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -535.524078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.524078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.524078 (E_RNA)
where:
Base-Base interactions energy: -372.750
where: short stacking energy: -148.654
Base-Backbone interact. energy: -0.116
local terms energy: -162.658038
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -542.919362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.919362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.919362 (E_RNA)
where:
Base-Base interactions energy: -372.899
where: short stacking energy: -156.393
Base-Backbone interact. energy: -0.046
local terms energy: -169.974269
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -49.808
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: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -538.704844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.704844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.704844 (E_RNA)
where:
Base-Base interactions energy: -361.317
where: short stacking energy: -153.755
Base-Backbone interact. energy: -0.381
local terms energy: -177.006685
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -34.657
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -46.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -507.322180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.322180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.322180 (E_RNA)
where:
Base-Base interactions energy: -341.922
where: short stacking energy: -149.022
Base-Backbone interact. energy: -0.769
local terms energy: -164.631109
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -47.631
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: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -440.434009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.434009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.434009 (E_RNA)
where:
Base-Base interactions energy: -280.670
where: short stacking energy: -132.818
Base-Backbone interact. energy: -1.272
local terms energy: -158.491590
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -18.880
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: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -461.369641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.369641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.369641 (E_RNA)
where:
Base-Base interactions energy: -318.097
where: short stacking energy: -129.361
Base-Backbone interact. energy: -0.730
local terms energy: -142.542528
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -36.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -379.549008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.549008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.549008 (E_RNA)
where:
Base-Base interactions energy: -243.688
where: short stacking energy: -110.064
Base-Backbone interact. energy: 0.066
local terms energy: -135.927067
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -27.961
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -19.685
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: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -192.340803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.340803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.340803 (E_RNA)
where:
Base-Base interactions energy: -91.403
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.404
local terms energy: -100.533728
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -151.052896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.052896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.052896 (E_RNA)
where:
Base-Base interactions energy: -59.724
where: short stacking energy: -46.287
Base-Backbone interact. energy: 0.973
local terms energy: -92.301722
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -21.259
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: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -151.139111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.139111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.139111 (E_RNA)
where:
Base-Base interactions energy: -48.326
where: short stacking energy: -48.326
Base-Backbone interact. energy: -0.140
local terms energy: -102.673868
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -4.483
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: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -541.434125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.434125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.434125 (E_RNA)
where:
Base-Base interactions energy: -364.472
where: short stacking energy: -155.551
Base-Backbone interact. energy: -0.223
local terms energy: -176.739811
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: -45.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -549.914147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.914147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.914147 (E_RNA)
where:
Base-Base interactions energy: -374.985
where: short stacking energy: -164.865
Base-Backbone interact. energy: -0.281
local terms energy: -174.648349
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -49.072
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: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -542.395203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.395203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.395203 (E_RNA)
where:
Base-Base interactions energy: -370.328
where: short stacking energy: -154.364
Base-Backbone interact. energy: -0.103
local terms energy: -171.964827
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -51.674
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: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -498.705915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.705915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.705915 (E_RNA)
where:
Base-Base interactions energy: -335.426
where: short stacking energy: -143.648
Base-Backbone interact. energy: -0.921
local terms energy: -162.358878
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -45.478
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: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -442.940275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.940275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.940275 (E_RNA)
where:
Base-Base interactions energy: -300.558
where: short stacking energy: -127.642
Base-Backbone interact. energy: 0.521
local terms energy: -142.902412
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -33.680
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -42.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -428.306993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.306993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.306993 (E_RNA)
where:
Base-Base interactions energy: -292.021
where: short stacking energy: -113.817
Base-Backbone interact. energy: -0.515
local terms energy: -135.770683
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -22.903
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: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -385.828079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.828079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.828079 (E_RNA)
where:
Base-Base interactions energy: -249.644
where: short stacking energy: -91.916
Base-Backbone interact. energy: -1.057
local terms energy: -135.126959
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -28.925
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: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -253.423157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.423157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.423157 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -62.398
Base-Backbone interact. energy: -1.260
local terms energy: -126.127569
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -15.210
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: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -157.768552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.768552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.768552 (E_RNA)
where:
Base-Base interactions energy: -60.480
where: short stacking energy: -35.190
Base-Backbone interact. energy: -1.002
local terms energy: -96.287037
where:
bonds (distance) C4'-P energy: -24.281
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -0.652
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: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -160.399976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.399976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.399976 (E_RNA)
where:
Base-Base interactions energy: -67.937
where: short stacking energy: -59.706
Base-Backbone interact. energy: 1.669
local terms energy: -94.131944
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -542.636869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.636869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.636869 (E_RNA)
where:
Base-Base interactions energy: -361.163
where: short stacking energy: -157.094
Base-Backbone interact. energy: -0.704
local terms energy: -180.770289
where:
bonds (distance) C4'-P energy: -36.894
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -532.685186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.685186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.685186 (E_RNA)
where:
Base-Base interactions energy: -352.666
where: short stacking energy: -156.113
Base-Backbone interact. energy: -3.335
local terms energy: -176.684431
where:
bonds (distance) C4'-P energy: -36.828
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -27.107
tors. eta vs tors. theta energy: -47.984
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -514.993065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.993065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.993065 (E_RNA)
where:
Base-Base interactions energy: -350.494
where: short stacking energy: -146.243
Base-Backbone interact. energy: 0.160
local terms energy: -164.658873
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -41.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -492.230337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.230337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.230337 (E_RNA)
where:
Base-Base interactions energy: -335.638
where: short stacking energy: -132.662
Base-Backbone interact. energy: -0.033
local terms energy: -156.559999
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -41.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -464.521290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.521290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.521290 (E_RNA)
where:
Base-Base interactions energy: -316.046
where: short stacking energy: -135.320
Base-Backbone interact. energy: -0.220
local terms energy: -148.255275
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -37.203
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: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -443.851532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.851532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.851532 (E_RNA)
where:
Base-Base interactions energy: -296.013
where: short stacking energy: -127.848
Base-Backbone interact. energy: -0.430
local terms energy: -147.409127
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -37.737
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: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -398.940874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.940874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.940874 (E_RNA)
where:
Base-Base interactions energy: -257.032
where: short stacking energy: -103.229
Base-Backbone interact. energy: -0.416
local terms energy: -141.493041
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -24.367
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: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -257.307410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.307410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.307410 (E_RNA)
where:
Base-Base interactions energy: -144.676
where: short stacking energy: -70.485
Base-Backbone interact. energy: -0.851
local terms energy: -111.780457
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -13.371
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: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -163.537757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.537757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.537757 (E_RNA)
where:
Base-Base interactions energy: -56.918
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.328
local terms energy: -106.291366
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: 1.872
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: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -140.823434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.823434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.823434 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.701
local terms energy: -107.678629
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: 0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -552.541037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.541037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.541037 (E_RNA)
where:
Base-Base interactions energy: -366.738
where: short stacking energy: -169.325
Base-Backbone interact. energy: -0.145
local terms energy: -185.658356
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -36.205
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -52.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -545.403005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.403005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.403005 (E_RNA)
where:
Base-Base interactions energy: -366.802
where: short stacking energy: -171.598
Base-Backbone interact. energy: 0.844
local terms energy: -179.445290
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -38.592
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -52.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -522.044492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.044492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.044492 (E_RNA)
where:
Base-Base interactions energy: -352.422
where: short stacking energy: -142.322
Base-Backbone interact. energy: 0.703
local terms energy: -170.324923
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -48.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -483.988117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.988117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.988117 (E_RNA)
where:
Base-Base interactions energy: -321.400
where: short stacking energy: -143.820
Base-Backbone interact. energy: -0.087
local terms energy: -162.500590
where:
bonds (distance) C4'-P energy: -34.100
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -43.931
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -497.500413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.500413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.500413 (E_RNA)
where:
Base-Base interactions energy: -332.228
where: short stacking energy: -143.807
Base-Backbone interact. energy: -0.986
local terms energy: -164.286345
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -43.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -407.163391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.163391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.163391 (E_RNA)
where:
Base-Base interactions energy: -268.691
where: short stacking energy: -108.719
Base-Backbone interact. energy: -0.494
local terms energy: -137.978792
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -30.381
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: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -433.234573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.234573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.234573 (E_RNA)
where:
Base-Base interactions energy: -288.033
where: short stacking energy: -131.689
Base-Backbone interact. energy: -0.251
local terms energy: -144.949988
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -274.761233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.761233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.761233 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -88.613
Base-Backbone interact. energy: -0.356
local terms energy: -112.081043
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -12.944
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: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -201.915882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.915882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.915882 (E_RNA)
where:
Base-Base interactions energy: -98.837
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.231
local terms energy: -102.848197
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -144.081445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.081445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.081445 (E_RNA)
where:
Base-Base interactions energy: -41.425
where: short stacking energy: -40.278
Base-Backbone interact. energy: 1.983
local terms energy: -104.639010
where:
bonds (distance) C4'-P energy: -34.448
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -1.892
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: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -551.292827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.292827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.292827 (E_RNA)
where:
Base-Base interactions energy: -362.456
where: short stacking energy: -158.641
Base-Backbone interact. energy: -0.063
local terms energy: -188.773736
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -37.497
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -26.734
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: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -536.740932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.740932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.740932 (E_RNA)
where:
Base-Base interactions energy: -373.111
where: short stacking energy: -155.629
Base-Backbone interact. energy: -0.581
local terms energy: -163.048975
where:
bonds (distance) C4'-P energy: -29.558
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -47.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -514.315659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.315659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.315659 (E_RNA)
where:
Base-Base interactions energy: -350.004
where: short stacking energy: -151.013
Base-Backbone interact. energy: -0.408
local terms energy: -163.903812
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -46.129
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: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -522.270760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.270760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.270760 (E_RNA)
where:
Base-Base interactions energy: -359.264
where: short stacking energy: -164.104
Base-Backbone interact. energy: -0.019
local terms energy: -162.987373
where:
bonds (distance) C4'-P energy: -38.712
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -29.389
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -48.387
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: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -514.761052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.761052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.761052 (E_RNA)
where:
Base-Base interactions energy: -352.094
where: short stacking energy: -139.311
Base-Backbone interact. energy: -0.052
local terms energy: -162.614687
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -31.642
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -408.355892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.355892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.355892 (E_RNA)
where:
Base-Base interactions energy: -262.895
where: short stacking energy: -109.531
Base-Backbone interact. energy: -0.712
local terms energy: -144.749209
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -24.913
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: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -436.780233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.780233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.780233 (E_RNA)
where:
Base-Base interactions energy: -276.957
where: short stacking energy: -123.406
Base-Backbone interact. energy: -0.365
local terms energy: -159.458512
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -33.395
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -42.195
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: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -230.875358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.875358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.875358 (E_RNA)
where:
Base-Base interactions energy: -110.067
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.201
local terms energy: -120.607735
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -15.505
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: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -160.511988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.511988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.511988 (E_RNA)
where:
Base-Base interactions energy: -53.552
where: short stacking energy: -51.204
Base-Backbone interact. energy: -0.434
local terms energy: -106.525352
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -32.949
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: 2.937
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: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -133.925088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.925088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.925088 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -38.153
Base-Backbone interact. energy: 0.542
local terms energy: -92.597358
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 1.697
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: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -554.089088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.089088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.089088 (E_RNA)
where:
Base-Base interactions energy: -371.779
where: short stacking energy: -167.511
Base-Backbone interact. energy: -0.175
local terms energy: -182.134460
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -37.194
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -53.228
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -535.899340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.899340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.899340 (E_RNA)
where:
Base-Base interactions energy: -358.608
where: short stacking energy: -151.449
Base-Backbone interact. energy: -0.173
local terms energy: -177.118656
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -47.468
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -518.508838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.508838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.508838 (E_RNA)
where:
Base-Base interactions energy: -355.628
where: short stacking energy: -142.965
Base-Backbone interact. energy: -0.148
local terms energy: -162.732906
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -29.473
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -46.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -507.872929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.872929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.872929 (E_RNA)
where:
Base-Base interactions energy: -356.184
where: short stacking energy: -152.360
Base-Backbone interact. energy: -0.375
local terms energy: -151.313700
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -41.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -500.409352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.409352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.409352 (E_RNA)
where:
Base-Base interactions energy: -339.337
where: short stacking energy: -153.812
Base-Backbone interact. energy: 1.182
local terms energy: -162.254829
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -51.035
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: 227
Temperature: 1.150000
Total energy: -447.975085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.975085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.975085 (E_RNA)
where:
Base-Base interactions energy: -291.441
where: short stacking energy: -133.106
Base-Backbone interact. energy: -0.194
local terms energy: -156.340888
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -36.646
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: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -398.988020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.988020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.988020 (E_RNA)
where:
Base-Base interactions energy: -263.783
where: short stacking energy: -117.323
Base-Backbone interact. energy: -0.657
local terms energy: -134.548368
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -238.349001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.349001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.349001 (E_RNA)
where:
Base-Base interactions energy: -124.778
where: short stacking energy: -75.259
Base-Backbone interact. energy: 0.381
local terms energy: -113.951635
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -7.886
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -159.790223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.790223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.790223 (E_RNA)
where:
Base-Base interactions energy: -50.401
where: short stacking energy: -47.654
Base-Backbone interact. energy: -1.484
local terms energy: -107.904567
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: -0.757
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: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -141.476984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.476984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.476984 (E_RNA)
where:
Base-Base interactions energy: -53.423
where: short stacking energy: -49.252
Base-Backbone interact. energy: -0.237
local terms energy: -87.816261
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: 0.312
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: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -554.703177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.703177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.703177 (E_RNA)
where:
Base-Base interactions energy: -369.940
where: short stacking energy: -164.856
Base-Backbone interact. energy: -0.388
local terms energy: -184.374730
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -50.882
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: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -544.991827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.991827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.991827 (E_RNA)
where:
Base-Base interactions energy: -379.267
where: short stacking energy: -159.298
Base-Backbone interact. energy: 0.313
local terms energy: -166.037801
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -30.487
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -44.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -543.797912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.797912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.797912 (E_RNA)
where:
Base-Base interactions energy: -384.711
where: short stacking energy: -151.599
Base-Backbone interact. energy: 0.045
local terms energy: -159.132328
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -48.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -517.741956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.741956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.741956 (E_RNA)
where:
Base-Base interactions energy: -358.780
where: short stacking energy: -152.056
Base-Backbone interact. energy: -0.302
local terms energy: -158.660457
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -506.668028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.668028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.668028 (E_RNA)
where:
Base-Base interactions energy: -343.417
where: short stacking energy: -146.043
Base-Backbone interact. energy: -0.230
local terms energy: -163.020770
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -44.347
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: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -442.844131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.844131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.844131 (E_RNA)
where:
Base-Base interactions energy: -287.255
where: short stacking energy: -132.396
Base-Backbone interact. energy: -0.327
local terms energy: -155.261939
where:
bonds (distance) C4'-P energy: -31.291
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -45.040
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: 228
Temperature: 1.200000
Total energy: -402.010168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.010168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.010168 (E_RNA)
where:
Base-Base interactions energy: -277.010
where: short stacking energy: -118.929
Base-Backbone interact. energy: -0.115
local terms energy: -124.885153
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -29.900
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: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -243.994035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.994035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.994035 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.555
local terms energy: -118.586284
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -12.051
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: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -159.024040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.024040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.024040 (E_RNA)
where:
Base-Base interactions energy: -68.933
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.034
local terms energy: -90.057113
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: 2.857
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: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -144.631360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.631360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.631360 (E_RNA)
where:
Base-Base interactions energy: -35.662
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.644
local terms energy: -108.325384
where:
bonds (distance) C4'-P energy: -28.418
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -11.530
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: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -553.454420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.454420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.454420 (E_RNA)
where:
Base-Base interactions energy: -377.588
where: short stacking energy: -166.121
Base-Backbone interact. energy: -0.033
local terms energy: -175.833495
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -52.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -549.193271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.193271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.193271 (E_RNA)
where:
Base-Base interactions energy: -365.856
where: short stacking energy: -159.167
Base-Backbone interact. energy: -0.060
local terms energy: -183.277421
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -50.073
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: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -523.265020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.265020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.265020 (E_RNA)
where:
Base-Base interactions energy: -356.383
where: short stacking energy: -149.730
Base-Backbone interact. energy: -1.155
local terms energy: -165.727129
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -38.471
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -44.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -515.072169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.072169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.072169 (E_RNA)
where:
Base-Base interactions energy: -357.092
where: short stacking energy: -156.957
Base-Backbone interact. energy: 0.356
local terms energy: -158.337014
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -37.441
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -50.916
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: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -513.782418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.782418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.782418 (E_RNA)
where:
Base-Base interactions energy: -346.104
where: short stacking energy: -138.252
Base-Backbone interact. energy: -0.980
local terms energy: -166.698523
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -38.659
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -25.771
tors. eta vs tors. theta energy: -45.660
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: 229
Temperature: 1.150000
Total energy: -425.913221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.913221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.913221 (E_RNA)
where:
Base-Base interactions energy: -265.819
where: short stacking energy: -112.517
Base-Backbone interact. energy: -0.862
local terms energy: -159.231739
where:
bonds (distance) C4'-P energy: -35.284
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -33.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -399.438534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.438534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.438534 (E_RNA)
where:
Base-Base interactions energy: -251.259
where: short stacking energy: -116.617
Base-Backbone interact. energy: -0.171
local terms energy: -148.008446
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -36.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -240.127823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.127823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.127823 (E_RNA)
where:
Base-Base interactions energy: -119.859
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.417
local terms energy: -119.851313
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -18.170
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: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -159.380833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.380833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.380833 (E_RNA)
where:
Base-Base interactions energy: -55.865
where: short stacking energy: -51.140
Base-Backbone interact. energy: -2.493
local terms energy: -101.022636
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -1.295
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: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -144.906366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.906366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.906366 (E_RNA)
where:
Base-Base interactions energy: -66.019
where: short stacking energy: -49.305
Base-Backbone interact. energy: 3.088
local terms energy: -81.975261
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: 3.296
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: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -556.198014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.198014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.198014 (E_RNA)
where:
Base-Base interactions energy: -371.588
where: short stacking energy: -170.985
Base-Backbone interact. energy: -0.297
local terms energy: -184.312915
where:
bonds (distance) C4'-P energy: -35.279
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -39.696
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -49.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -553.485535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.485535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.485535 (E_RNA)
where:
Base-Base interactions energy: -362.784
where: short stacking energy: -161.390
Base-Backbone interact. energy: -0.328
local terms energy: -190.373926
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -38.066
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -55.990
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: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -529.284037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.284037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.284037 (E_RNA)
where:
Base-Base interactions energy: -360.460
where: short stacking energy: -150.878
Base-Backbone interact. energy: -0.159
local terms energy: -168.664393
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -35.886
flat angles C4'-P-C4' energy: -33.471
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -47.285
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: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -523.253347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.253347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.253347 (E_RNA)
where:
Base-Base interactions energy: -355.007
where: short stacking energy: -156.228
Base-Backbone interact. energy: -0.310
local terms energy: -167.936916
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -45.871
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: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -504.143641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.143641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.143641 (E_RNA)
where:
Base-Base interactions energy: -354.187
where: short stacking energy: -146.895
Base-Backbone interact. energy: -0.111
local terms energy: -149.845354
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -47.343
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -411.209483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.209483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.209483 (E_RNA)
where:
Base-Base interactions energy: -257.350
where: short stacking energy: -111.744
Base-Backbone interact. energy: -0.634
local terms energy: -153.224809
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -36.914
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -35.326
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: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -409.574460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.574460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.574460 (E_RNA)
where:
Base-Base interactions energy: -261.964
where: short stacking energy: -123.070
Base-Backbone interact. energy: -0.305
local terms energy: -147.305483
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -40.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -249.119025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.119025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.119025 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -73.985
Base-Backbone interact. energy: -0.195
local terms energy: -107.733770
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -10.947
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: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -145.427600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.427600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.427600 (E_RNA)
where:
Base-Base interactions energy: -40.828
where: short stacking energy: -39.642
Base-Backbone interact. energy: -0.286
local terms energy: -104.313919
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -152.503881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.503881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.503881 (E_RNA)
where:
Base-Base interactions energy: -51.308
where: short stacking energy: -39.477
Base-Backbone interact. energy: 0.233
local terms energy: -101.429644
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -550.144324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.144324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.144324 (E_RNA)
where:
Base-Base interactions energy: -374.215
where: short stacking energy: -172.900
Base-Backbone interact. energy: -0.181
local terms energy: -175.747923
where:
bonds (distance) C4'-P energy: -30.199
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -39.238
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: -52.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -539.607872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.607872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.607872 (E_RNA)
where:
Base-Base interactions energy: -367.103
where: short stacking energy: -141.675
Base-Backbone interact. energy: -0.526
local terms energy: -171.978965
where:
bonds (distance) C4'-P energy: -38.976
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -39.645
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: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -521.504966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.504966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.504966 (E_RNA)
where:
Base-Base interactions energy: -348.677
where: short stacking energy: -137.102
Base-Backbone interact. energy: -1.271
local terms energy: -171.556757
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -25.964
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: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -498.486769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.486769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.486769 (E_RNA)
where:
Base-Base interactions energy: -329.856
where: short stacking energy: -146.786
Base-Backbone interact. energy: -0.033
local terms energy: -168.597952
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -38.699
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -43.565
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: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -505.674023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.674023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.674023 (E_RNA)
where:
Base-Base interactions energy: -342.647
where: short stacking energy: -146.579
Base-Backbone interact. energy: -0.349
local terms energy: -162.677352
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -49.168
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: 231
Temperature: 1.150000
Total energy: -420.560048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.560048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.560048 (E_RNA)
where:
Base-Base interactions energy: -273.208
where: short stacking energy: -111.173
Base-Backbone interact. energy: -0.426
local terms energy: -146.926140
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -33.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -412.553256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.553256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.553256 (E_RNA)
where:
Base-Base interactions energy: -260.193
where: short stacking energy: -119.821
Base-Backbone interact. energy: -0.719
local terms energy: -151.640996
where:
bonds (distance) C4'-P energy: -34.453
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -41.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -185.979807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.979807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.979807 (E_RNA)
where:
Base-Base interactions energy: -78.660
where: short stacking energy: -71.539
Base-Backbone interact. energy: 0.578
local terms energy: -107.897331
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -12.178
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: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -155.633875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.633875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.633875 (E_RNA)
where:
Base-Base interactions energy: -53.177
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.635
local terms energy: -101.822226
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -16.565
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: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -152.062270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.062270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.062270 (E_RNA)
where:
Base-Base interactions energy: -49.895
where: short stacking energy: -38.927
Base-Backbone interact. energy: 1.617
local terms energy: -103.783482
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -35.554
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: 1.466
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: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -556.188029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.188029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.188029 (E_RNA)
where:
Base-Base interactions energy: -376.233
where: short stacking energy: -152.955
Base-Backbone interact. energy: 2.795
local terms energy: -182.749509
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -41.617
flat angles P-C4'-P energy: -28.470
tors. eta vs tors. theta energy: -47.297
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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -546.783079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.783079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.783079 (E_RNA)
where:
Base-Base interactions energy: -362.054
where: short stacking energy: -159.142
Base-Backbone interact. energy: -0.778
local terms energy: -183.950515
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -38.826
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -50.538
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: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -526.609930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.609930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.609930 (E_RNA)
where:
Base-Base interactions energy: -361.565
where: short stacking energy: -150.721
Base-Backbone interact. energy: -0.271
local terms energy: -164.774576
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -31.615
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -44.503
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -513.049265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.049265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.049265 (E_RNA)
where:
Base-Base interactions energy: -357.877
where: short stacking energy: -137.947
Base-Backbone interact. energy: -0.252
local terms energy: -154.920108
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -38.581
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: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -494.663102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.663102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.663102 (E_RNA)
where:
Base-Base interactions energy: -335.738
where: short stacking energy: -130.044
Base-Backbone interact. energy: -0.387
local terms energy: -158.538190
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -33.836
flat angles C4'-P-C4' energy: -36.641
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -38.475
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: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -392.300536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.300536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.300536 (E_RNA)
where:
Base-Base interactions energy: -259.525
where: short stacking energy: -115.122
Base-Backbone interact. energy: -0.353
local terms energy: -132.423306
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -435.615866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.615866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.615866 (E_RNA)
where:
Base-Base interactions energy: -281.797
where: short stacking energy: -126.284
Base-Backbone interact. energy: -0.030
local terms energy: -153.788151
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -42.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -160.850196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.850196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.850196 (E_RNA)
where:
Base-Base interactions energy: -58.626
where: short stacking energy: -53.908
Base-Backbone interact. energy: 3.489
local terms energy: -105.712995
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: 3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -159.779640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.779640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.779640 (E_RNA)
where:
Base-Base interactions energy: -61.348
where: short stacking energy: -57.670
Base-Backbone interact. energy: 2.087
local terms energy: -100.517730
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -19.623
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: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -145.625385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.625385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.625385 (E_RNA)
where:
Base-Base interactions energy: -57.887
where: short stacking energy: -46.405
Base-Backbone interact. energy: 1.252
local terms energy: -88.989676
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -534.462467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.462467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.462467 (E_RNA)
where:
Base-Base interactions energy: -369.541
where: short stacking energy: -156.830
Base-Backbone interact. energy: -0.440
local terms energy: -164.481412
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -46.715
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: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -542.447870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.447870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.447870 (E_RNA)
where:
Base-Base interactions energy: -374.522
where: short stacking energy: -151.798
Base-Backbone interact. energy: -0.607
local terms energy: -167.318896
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -44.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -539.005890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.005890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.005890 (E_RNA)
where:
Base-Base interactions energy: -366.326
where: short stacking energy: -164.597
Base-Backbone interact. energy: -0.739
local terms energy: -171.940946
where:
bonds (distance) C4'-P energy: -32.250
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -55.870
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: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -508.433619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.433619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.433619 (E_RNA)
where:
Base-Base interactions energy: -350.656
where: short stacking energy: -145.447
Base-Backbone interact. energy: -0.128
local terms energy: -157.649933
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -46.405
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -503.125667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.125667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.125667 (E_RNA)
where:
Base-Base interactions energy: -341.122
where: short stacking energy: -146.484
Base-Backbone interact. energy: -0.323
local terms energy: -161.680582
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -38.379
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -45.247
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -445.925089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.925089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.925089 (E_RNA)
where:
Base-Base interactions energy: -291.717
where: short stacking energy: -134.599
Base-Backbone interact. energy: -0.315
local terms energy: -153.892722
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -41.382
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: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -363.930238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.930238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.930238 (E_RNA)
where:
Base-Base interactions energy: -224.220
where: short stacking energy: -93.274
Base-Backbone interact. energy: -0.440
local terms energy: -139.269891
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -168.064828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.064828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.064828 (E_RNA)
where:
Base-Base interactions energy: -62.370
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.404
local terms energy: -105.290691
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -0.504
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: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -211.284274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.284274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.284274 (E_RNA)
where:
Base-Base interactions energy: -102.339
where: short stacking energy: -54.835
Base-Backbone interact. energy: -1.225
local terms energy: -107.720865
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -1.682
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: 233
Temperature: 1.350000
Total energy: -144.156078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.156078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.156078 (E_RNA)
where:
Base-Base interactions energy: -73.656
where: short stacking energy: -30.984
Base-Backbone interact. energy: 4.960
local terms energy: -75.460709
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: 9.210
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: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -548.264951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.264951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.264951 (E_RNA)
where:
Base-Base interactions energy: -373.908
where: short stacking energy: -147.556
Base-Backbone interact. energy: -2.185
local terms energy: -172.171145
where:
bonds (distance) C4'-P energy: -36.525
bonds (distance) P-C4' energy: -33.704
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -43.103
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -531.910316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.910316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.910316 (E_RNA)
where:
Base-Base interactions energy: -350.364
where: short stacking energy: -142.725
Base-Backbone interact. energy: -0.060
local terms energy: -181.486708
where:
bonds (distance) C4'-P energy: -37.930
bonds (distance) P-C4' energy: -37.676
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -522.519773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.519773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.519773 (E_RNA)
where:
Base-Base interactions energy: -347.778
where: short stacking energy: -145.115
Base-Backbone interact. energy: -0.098
local terms energy: -174.643445
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -48.586
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: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -503.386973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.386973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.386973 (E_RNA)
where:
Base-Base interactions energy: -341.730
where: short stacking energy: -135.144
Base-Backbone interact. energy: -0.251
local terms energy: -161.406427
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -39.020
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: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -494.429811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.429811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.429811 (E_RNA)
where:
Base-Base interactions energy: -350.835
where: short stacking energy: -148.132
Base-Backbone interact. energy: 0.905
local terms energy: -144.499174
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -32.542
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -44.054
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: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -461.629380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.629380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.629380 (E_RNA)
where:
Base-Base interactions energy: -296.909
where: short stacking energy: -136.641
Base-Backbone interact. energy: 0.939
local terms energy: -165.659140
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -43.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -349.639498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.639498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.639498 (E_RNA)
where:
Base-Base interactions energy: -224.537
where: short stacking energy: -94.384
Base-Backbone interact. energy: 1.925
local terms energy: -127.026669
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -18.843
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: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -156.662738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.662738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.662738 (E_RNA)
where:
Base-Base interactions energy: -56.772
where: short stacking energy: -43.014
Base-Backbone interact. energy: 0.187
local terms energy: -100.078385
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -0.072
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: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -180.497838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.497838 (E_RNA)
where:
Base-Base interactions energy: -88.574
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.090
local terms energy: -91.833813
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: 3.278
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: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -163.035506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.035506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.035506 (E_RNA)
where:
Base-Base interactions energy: -71.058
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.571
local terms energy: -91.407055
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: 2.581
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: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -552.253871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.253871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.253871 (E_RNA)
where:
Base-Base interactions energy: -370.010
where: short stacking energy: -159.494
Base-Backbone interact. energy: -0.921
local terms energy: -181.322409
where:
bonds (distance) C4'-P energy: -35.019
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: -48.251
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -523.454989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.454989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.454989 (E_RNA)
where:
Base-Base interactions energy: -354.384
where: short stacking energy: -155.595
Base-Backbone interact. energy: -0.420
local terms energy: -168.651271
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -29.590
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -47.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -530.061757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.061757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.061757 (E_RNA)
where:
Base-Base interactions energy: -355.168
where: short stacking energy: -158.607
Base-Backbone interact. energy: -0.185
local terms energy: -174.708463
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -32.062
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -512.875687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.875687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.875687 (E_RNA)
where:
Base-Base interactions energy: -352.080
where: short stacking energy: -146.329
Base-Backbone interact. energy: -0.134
local terms energy: -160.660905
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -35.090
flat angles C4'-P-C4' energy: -38.219
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -497.326372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.326372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.326372 (E_RNA)
where:
Base-Base interactions energy: -334.834
where: short stacking energy: -145.240
Base-Backbone interact. energy: 0.027
local terms energy: -162.519319
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -44.839
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: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -452.812319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.812319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.812319 (E_RNA)
where:
Base-Base interactions energy: -291.966
where: short stacking energy: -122.397
Base-Backbone interact. energy: -0.077
local terms energy: -160.768910
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -39.286
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: 235
Temperature: 1.200000
Total energy: -395.199339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.199339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.199339 (E_RNA)
where:
Base-Base interactions energy: -258.476
where: short stacking energy: -93.635
Base-Backbone interact. energy: 3.477
local terms energy: -140.199574
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -27.641
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -213.993157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.993157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.993157 (E_RNA)
where:
Base-Base interactions energy: -105.765
where: short stacking energy: -46.878
Base-Backbone interact. energy: -1.140
local terms energy: -107.088099
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -29.247
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -0.408
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: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -141.289934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.289934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.289934 (E_RNA)
where:
Base-Base interactions energy: -46.611
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.948
local terms energy: -93.730128
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: 3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -154.757337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.757337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.757337 (E_RNA)
where:
Base-Base interactions energy: -77.360
where: short stacking energy: -42.802
Base-Backbone interact. energy: -0.875
local terms energy: -76.522540
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: 7.665
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: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -534.975493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.975493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.975493 (E_RNA)
where:
Base-Base interactions energy: -365.316
where: short stacking energy: -160.493
Base-Backbone interact. energy: -0.091
local terms energy: -169.568543
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -46.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -540.627889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.627889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.627889 (E_RNA)
where:
Base-Base interactions energy: -372.704
where: short stacking energy: -149.468
Base-Backbone interact. energy: 0.444
local terms energy: -168.368551
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -43.489
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: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -537.174966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.174966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.174966 (E_RNA)
where:
Base-Base interactions energy: -373.017
where: short stacking energy: -149.798
Base-Backbone interact. energy: -0.077
local terms energy: -164.080257
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -43.459
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: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -525.434543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.434543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.434543 (E_RNA)
where:
Base-Base interactions energy: -355.775
where: short stacking energy: -160.053
Base-Backbone interact. energy: -1.561
local terms energy: -168.098728
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -53.308
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: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -510.482785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.482785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.482785 (E_RNA)
where:
Base-Base interactions energy: -351.211
where: short stacking energy: -137.702
Base-Backbone interact. energy: 0.843
local terms energy: -160.115560
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -46.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -443.637990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.637990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.637990 (E_RNA)
where:
Base-Base interactions energy: -300.551
where: short stacking energy: -131.362
Base-Backbone interact. energy: -0.223
local terms energy: -142.863526
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -38.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -393.457514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.457514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.457514 (E_RNA)
where:
Base-Base interactions energy: -266.626
where: short stacking energy: -100.679
Base-Backbone interact. energy: 0.495
local terms energy: -127.326533
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -30.944
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: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -225.380282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.380282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.380282 (E_RNA)
where:
Base-Base interactions energy: -117.426
where: short stacking energy: -53.738
Base-Backbone interact. energy: -1.833
local terms energy: -106.120948
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -3.652
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: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -170.902019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.902019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.902019 (E_RNA)
where:
Base-Base interactions energy: -64.771
where: short stacking energy: -50.280
Base-Backbone interact. energy: -0.869
local terms energy: -105.262137
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -10.282
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: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -147.261459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.261459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.261459 (E_RNA)
where:
Base-Base interactions energy: -44.317
where: short stacking energy: -38.933
Base-Backbone interact. energy: -0.410
local terms energy: -102.534645
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -0.864
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: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -532.223791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.223791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.223791 (E_RNA)
where:
Base-Base interactions energy: -358.749
where: short stacking energy: -159.016
Base-Backbone interact. energy: -0.152
local terms energy: -173.323064
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -38.737
flat angles P-C4'-P energy: -25.838
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: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -532.387358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.387358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.387358 (E_RNA)
where:
Base-Base interactions energy: -373.759
where: short stacking energy: -159.131
Base-Backbone interact. energy: -0.625
local terms energy: -158.003278
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -46.705
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: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -537.631110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.631110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.631110 (E_RNA)
where:
Base-Base interactions energy: -361.514
where: short stacking energy: -156.052
Base-Backbone interact. energy: -0.411
local terms energy: -175.706148
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -50.043
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: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -506.297361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.297361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.297361 (E_RNA)
where:
Base-Base interactions energy: -334.579
where: short stacking energy: -148.454
Base-Backbone interact. energy: -0.467
local terms energy: -171.252004
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -49.079
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: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -506.494585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.494585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.494585 (E_RNA)
where:
Base-Base interactions energy: -346.679
where: short stacking energy: -141.842
Base-Backbone interact. energy: -0.034
local terms energy: -159.780866
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -46.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -432.588696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.588696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.588696 (E_RNA)
where:
Base-Base interactions energy: -275.766
where: short stacking energy: -115.564
Base-Backbone interact. energy: -0.194
local terms energy: -156.629012
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: -33.481
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: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -399.434317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.434317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.434317 (E_RNA)
where:
Base-Base interactions energy: -257.551
where: short stacking energy: -108.790
Base-Backbone interact. energy: 0.560
local terms energy: -142.443173
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -30.530
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -244.518140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.518140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.518140 (E_RNA)
where:
Base-Base interactions energy: -124.376
where: short stacking energy: -64.838
Base-Backbone interact. energy: 0.318
local terms energy: -120.460429
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -19.351
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: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -150.912409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.912409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.912409 (E_RNA)
where:
Base-Base interactions energy: -71.728
where: short stacking energy: -45.002
Base-Backbone interact. energy: -0.434
local terms energy: -78.749850
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: 2.513
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: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -153.062043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.062043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.062043 (E_RNA)
where:
Base-Base interactions energy: -57.688
where: short stacking energy: -47.371
Base-Backbone interact. energy: 0.426
local terms energy: -95.800354
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -3.113
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: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -542.468824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.468824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.468824 (E_RNA)
where:
Base-Base interactions energy: -371.455
where: short stacking energy: -166.557
Base-Backbone interact. energy: 2.355
local terms energy: -173.369338
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -26.905
tors. eta vs tors. theta energy: -50.721
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: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -524.394739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.394739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.394739 (E_RNA)
where:
Base-Base interactions energy: -361.980
where: short stacking energy: -155.898
Base-Backbone interact. energy: -1.131
local terms energy: -161.283645
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -47.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -536.512141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.512141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.512141 (E_RNA)
where:
Base-Base interactions energy: -362.683
where: short stacking energy: -155.013
Base-Backbone interact. energy: -0.850
local terms energy: -172.978779
where:
bonds (distance) C4'-P energy: -35.939
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: -47.186
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: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -506.570231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.570231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.570231 (E_RNA)
where:
Base-Base interactions energy: -353.515
where: short stacking energy: -163.687
Base-Backbone interact. energy: -0.451
local terms energy: -152.604028
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -47.009
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: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -503.817965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.817965 (E_RNA)
where:
Base-Base interactions energy: -337.117
where: short stacking energy: -138.083
Base-Backbone interact. energy: -0.720
local terms energy: -165.980277
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -50.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -437.225163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.225163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.225163 (E_RNA)
where:
Base-Base interactions energy: -289.151
where: short stacking energy: -122.910
Base-Backbone interact. energy: -0.389
local terms energy: -147.684694
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -416.640153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.640153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.640153 (E_RNA)
where:
Base-Base interactions energy: -288.133
where: short stacking energy: -129.061
Base-Backbone interact. energy: 0.847
local terms energy: -129.354791
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -35.307
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -29.423
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: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -225.114191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.114191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.114191 (E_RNA)
where:
Base-Base interactions energy: -114.488
where: short stacking energy: -61.650
Base-Backbone interact. energy: -1.646
local terms energy: -108.979782
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -152.900144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.900144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.900144 (E_RNA)
where:
Base-Base interactions energy: -56.089
where: short stacking energy: -48.025
Base-Backbone interact. energy: 0.376
local terms energy: -97.187644
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: 2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -160.083696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.083696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.083696 (E_RNA)
where:
Base-Base interactions energy: -75.043
where: short stacking energy: -49.943
Base-Backbone interact. energy: -0.734
local terms energy: -84.306712
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: 3.243
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -534.664776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.664776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.664776 (E_RNA)
where:
Base-Base interactions energy: -368.706
where: short stacking energy: -145.738
Base-Backbone interact. energy: -1.433
local terms energy: -164.525803
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -45.540
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: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -525.278652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.278652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.278652 (E_RNA)
where:
Base-Base interactions energy: -362.271
where: short stacking energy: -146.976
Base-Backbone interact. energy: -0.745
local terms energy: -162.262188
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -38.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -520.536114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.536114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.536114 (E_RNA)
where:
Base-Base interactions energy: -354.031
where: short stacking energy: -150.278
Base-Backbone interact. energy: -2.668
local terms energy: -163.837274
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -46.012
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: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -519.661564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.661564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.661564 (E_RNA)
where:
Base-Base interactions energy: -351.710
where: short stacking energy: -136.356
Base-Backbone interact. energy: 0.572
local terms energy: -168.523588
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -46.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -513.026301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.026301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.026301 (E_RNA)
where:
Base-Base interactions energy: -349.916
where: short stacking energy: -145.215
Base-Backbone interact. energy: 0.113
local terms energy: -163.222785
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -44.552
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: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -417.131888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.131888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.131888 (E_RNA)
where:
Base-Base interactions energy: -268.548
where: short stacking energy: -106.152
Base-Backbone interact. energy: -0.317
local terms energy: -148.267798
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -36.130
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -30.114
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -436.964248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.964248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.964248 (E_RNA)
where:
Base-Base interactions energy: -288.207
where: short stacking energy: -133.386
Base-Backbone interact. energy: 0.555
local terms energy: -149.312123
where:
bonds (distance) C4'-P energy: -33.988
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -34.818
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: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -164.686513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.686513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.686513 (E_RNA)
where:
Base-Base interactions energy: -50.671
where: short stacking energy: -43.999
Base-Backbone interact. energy: -1.204
local terms energy: -112.810707
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -31.674
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -10.036
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: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -266.258748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.258748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.258748 (E_RNA)
where:
Base-Base interactions energy: -161.012
where: short stacking energy: -74.780
Base-Backbone interact. energy: 0.252
local terms energy: -105.498643
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -8.212
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: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -157.566557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.566557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.566557 (E_RNA)
where:
Base-Base interactions energy: -72.188
where: short stacking energy: -54.021
Base-Backbone interact. energy: 1.759
local terms energy: -87.137608
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -6.793
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: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -539.975566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.975566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.975566 (E_RNA)
where:
Base-Base interactions energy: -354.331
where: short stacking energy: -153.352
Base-Backbone interact. energy: -0.030
local terms energy: -185.614516
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -50.533
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: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -534.784850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.784850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.784850 (E_RNA)
where:
Base-Base interactions energy: -370.213
where: short stacking energy: -164.405
Base-Backbone interact. energy: -0.338
local terms energy: -164.233360
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -48.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -514.275562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.275562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.275562 (E_RNA)
where:
Base-Base interactions energy: -359.349
where: short stacking energy: -155.104
Base-Backbone interact. energy: 0.281
local terms energy: -155.208098
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -41.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -505.226327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.226327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.226327 (E_RNA)
where:
Base-Base interactions energy: -341.847
where: short stacking energy: -137.762
Base-Backbone interact. energy: -0.302
local terms energy: -163.077214
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -31.236
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -42.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -503.665009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.665009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.665009 (E_RNA)
where:
Base-Base interactions energy: -336.124
where: short stacking energy: -145.618
Base-Backbone interact. energy: 0.350
local terms energy: -167.890875
where:
bonds (distance) C4'-P energy: -34.411
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -42.927
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: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -415.679228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.679228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.679228 (E_RNA)
where:
Base-Base interactions energy: -291.715
where: short stacking energy: -105.458
Base-Backbone interact. energy: 2.150
local terms energy: -126.114599
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -21.857
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: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -423.441386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.441386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.441386 (E_RNA)
where:
Base-Base interactions energy: -269.584
where: short stacking energy: -125.855
Base-Backbone interact. energy: -0.230
local terms energy: -153.627518
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -40.403
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -166.809619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.809619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.809619 (E_RNA)
where:
Base-Base interactions energy: -52.750
where: short stacking energy: -44.586
Base-Backbone interact. energy: 2.275
local terms energy: -116.334627
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -9.359
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: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -263.917502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.917502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.917502 (E_RNA)
where:
Base-Base interactions energy: -152.572
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.686
local terms energy: -110.659921
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -17.435
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: 240
Temperature: 1.350000
Total energy: -144.510765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.510765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.510765 (E_RNA)
where:
Base-Base interactions energy: -47.236
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.189
local terms energy: -97.086257
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: 4.412
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: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -542.178756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.178756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.178756 (E_RNA)
where:
Base-Base interactions energy: -365.817
where: short stacking energy: -162.450
Base-Backbone interact. energy: -0.063
local terms energy: -176.298630
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -40.093
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -47.186
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: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -544.965109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.965109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.965109 (E_RNA)
where:
Base-Base interactions energy: -367.027
where: short stacking energy: -167.479
Base-Backbone interact. energy: -0.661
local terms energy: -177.277463
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -47.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -519.906163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.906163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.906163 (E_RNA)
where:
Base-Base interactions energy: -357.761
where: short stacking energy: -140.851
Base-Backbone interact. energy: -0.124
local terms energy: -162.021365
where:
bonds (distance) C4'-P energy: -32.797
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -44.291
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: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -530.831634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.831634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.831634 (E_RNA)
where:
Base-Base interactions energy: -357.384
where: short stacking energy: -149.052
Base-Backbone interact. energy: -0.324
local terms energy: -173.123227
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -49.848
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: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -491.356748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.356748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.356748 (E_RNA)
where:
Base-Base interactions energy: -335.823
where: short stacking energy: -134.188
Base-Backbone interact. energy: -0.486
local terms energy: -155.047388
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -39.619
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: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -406.442539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.442539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.442539 (E_RNA)
where:
Base-Base interactions energy: -260.664
where: short stacking energy: -127.100
Base-Backbone interact. energy: 4.997
local terms energy: -150.775249
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -32.793
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: 241
Temperature: 1.200000
Total energy: -377.141620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.141620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.141620 (E_RNA)
where:
Base-Base interactions energy: -251.909
where: short stacking energy: -106.721
Base-Backbone interact. energy: -1.582
local terms energy: -123.650586
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -27.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -254.651104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.651104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.651104 (E_RNA)
where:
Base-Base interactions energy: -140.891
where: short stacking energy: -74.721
Base-Backbone interact. energy: -0.487
local terms energy: -113.273582
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -7.843
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: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -153.142546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.142546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.142546 (E_RNA)
where:
Base-Base interactions energy: -52.861
where: short stacking energy: -47.602
Base-Backbone interact. energy: 3.368
local terms energy: -103.648924
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -140.296675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.296675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.296675 (E_RNA)
where:
Base-Base interactions energy: -53.098
where: short stacking energy: -49.877
Base-Backbone interact. energy: -0.280
local terms energy: -86.918283
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -14.998
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: 242
Temperature: 0.900000
Total energy: -552.774331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.774331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.774331 (E_RNA)
where:
Base-Base interactions energy: -379.019
where: short stacking energy: -151.133
Base-Backbone interact. energy: -0.794
local terms energy: -172.961061
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -49.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -537.870323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.870323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.870323 (E_RNA)
where:
Base-Base interactions energy: -371.006
where: short stacking energy: -159.730
Base-Backbone interact. energy: -0.134
local terms energy: -166.730686
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -34.654
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -47.233
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: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -522.793129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.793129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.793129 (E_RNA)
where:
Base-Base interactions energy: -362.623
where: short stacking energy: -158.260
Base-Backbone interact. energy: -0.232
local terms energy: -159.938262
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -46.337
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: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -512.382483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.382483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.382483 (E_RNA)
where:
Base-Base interactions energy: -341.276
where: short stacking energy: -154.071
Base-Backbone interact. energy: -0.727
local terms energy: -170.379390
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -48.316
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: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -485.757815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.757815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.757815 (E_RNA)
where:
Base-Base interactions energy: -349.521
where: short stacking energy: -145.975
Base-Backbone interact. energy: -0.191
local terms energy: -136.046221
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -43.928
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: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -413.238761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.238761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.238761 (E_RNA)
where:
Base-Base interactions energy: -258.497
where: short stacking energy: -136.865
Base-Backbone interact. energy: -1.941
local terms energy: -152.801485
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -36.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -410.617688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.617688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.617688 (E_RNA)
where:
Base-Base interactions energy: -267.747
where: short stacking energy: -108.352
Base-Backbone interact. energy: -1.279
local terms energy: -141.592170
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -29.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -254.724881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.724881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.724881 (E_RNA)
where:
Base-Base interactions energy: -144.099
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.624
local terms energy: -110.001700
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -10.920
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: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -165.147662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.147662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.147662 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -50.255
Base-Backbone interact. energy: 0.951
local terms energy: -114.250038
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: 1.298
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: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -153.274518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.274518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.274518 (E_RNA)
where:
Base-Base interactions energy: -53.903
where: short stacking energy: -47.046
Base-Backbone interact. energy: 0.131
local terms energy: -99.502478
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -7.545
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: 243
Temperature: 0.900000
Total energy: -548.099896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.099896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.099896 (E_RNA)
where:
Base-Base interactions energy: -369.601
where: short stacking energy: -162.917
Base-Backbone interact. energy: -2.346
local terms energy: -176.152108
where:
bonds (distance) C4'-P energy: -35.155
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -47.828
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: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -546.466897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.466897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.466897 (E_RNA)
where:
Base-Base interactions energy: -376.172
where: short stacking energy: -163.090
Base-Backbone interact. energy: -0.137
local terms energy: -170.158267
where:
bonds (distance) C4'-P energy: -31.257
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -45.622
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -520.966408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.966408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.966408 (E_RNA)
where:
Base-Base interactions energy: -353.865
where: short stacking energy: -153.131
Base-Backbone interact. energy: -0.451
local terms energy: -166.650743
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -36.475
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -47.919
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: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -465.725913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.725913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.725913 (E_RNA)
where:
Base-Base interactions energy: -305.898
where: short stacking energy: -139.349
Base-Backbone interact. energy: -0.426
local terms energy: -159.401331
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -37.711
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: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -510.710832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.710832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.710832 (E_RNA)
where:
Base-Base interactions energy: -344.003
where: short stacking energy: -158.015
Base-Backbone interact. energy: -0.148
local terms energy: -166.559374
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: -48.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -413.200876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.200876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.200876 (E_RNA)
where:
Base-Base interactions energy: -275.413
where: short stacking energy: -118.975
Base-Backbone interact. energy: -0.121
local terms energy: -137.666891
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -32.046
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: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -379.536182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.536182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.536182 (E_RNA)
where:
Base-Base interactions energy: -246.133
where: short stacking energy: -120.698
Base-Backbone interact. energy: -1.629
local terms energy: -131.773910
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -31.837
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -260.360621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.360621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.360621 (E_RNA)
where:
Base-Base interactions energy: -152.254
where: short stacking energy: -77.225
Base-Backbone interact. energy: -1.755
local terms energy: -106.350720
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -150.712490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.712490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.712490 (E_RNA)
where:
Base-Base interactions energy: -47.530
where: short stacking energy: -32.121
Base-Backbone interact. energy: -1.131
local terms energy: -102.051736
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -2.725
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: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -147.869256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.869256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.869256 (E_RNA)
where:
Base-Base interactions energy: -56.004
where: short stacking energy: -42.420
Base-Backbone interact. energy: 0.421
local terms energy: -92.285664
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: 6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -537.476775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.476775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.476775 (E_RNA)
where:
Base-Base interactions energy: -363.781
where: short stacking energy: -151.522
Base-Backbone interact. energy: -0.985
local terms energy: -172.710509
where:
bonds (distance) C4'-P energy: -33.532
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -43.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -540.489628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.489628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.489628 (E_RNA)
where:
Base-Base interactions energy: -378.229
where: short stacking energy: -143.416
Base-Backbone interact. energy: -0.609
local terms energy: -161.651708
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -45.151
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: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -520.881508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.881508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.881508 (E_RNA)
where:
Base-Base interactions energy: -350.892
where: short stacking energy: -146.783
Base-Backbone interact. energy: -0.378
local terms energy: -169.611969
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -42.822
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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -479.141833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.141833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.141833 (E_RNA)
where:
Base-Base interactions energy: -304.778
where: short stacking energy: -139.530
Base-Backbone interact. energy: -0.327
local terms energy: -174.037151
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -29.811
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -500.354611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.354611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.354611 (E_RNA)
where:
Base-Base interactions energy: -343.728
where: short stacking energy: -142.190
Base-Backbone interact. energy: -0.961
local terms energy: -155.666062
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -45.279
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: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -425.377372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.377372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.377372 (E_RNA)
where:
Base-Base interactions energy: -285.477
where: short stacking energy: -132.113
Base-Backbone interact. energy: -1.646
local terms energy: -138.255024
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -34.066
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: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -371.732862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.732862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.732862 (E_RNA)
where:
Base-Base interactions energy: -238.937
where: short stacking energy: -103.412
Base-Backbone interact. energy: -0.581
local terms energy: -132.214417
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -262.508551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.508551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.508551 (E_RNA)
where:
Base-Base interactions energy: -144.775
where: short stacking energy: -75.551
Base-Backbone interact. energy: -0.118
local terms energy: -117.615451
where:
bonds (distance) C4'-P energy: -28.629
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -148.742464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.742464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.742464 (E_RNA)
where:
Base-Base interactions energy: -53.600
where: short stacking energy: -47.229
Base-Backbone interact. energy: -0.951
local terms energy: -94.192186
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -16.054
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: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -150.032182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.032182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.032182 (E_RNA)
where:
Base-Base interactions energy: -47.871
where: short stacking energy: -44.276
Base-Backbone interact. energy: -0.147
local terms energy: -102.014069
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: 0.304
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -557.726546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.726546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.726546 (E_RNA)
where:
Base-Base interactions energy: -382.694
where: short stacking energy: -168.186
Base-Backbone interact. energy: -0.859
local terms energy: -174.173408
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -50.571
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: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -533.967577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.967577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.967577 (E_RNA)
where:
Base-Base interactions energy: -365.824
where: short stacking energy: -159.863
Base-Backbone interact. energy: -0.184
local terms energy: -167.959812
where:
bonds (distance) C4'-P energy: -32.314
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -47.035
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: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -506.973879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.973879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.973879 (E_RNA)
where:
Base-Base interactions energy: -341.119
where: short stacking energy: -141.902
Base-Backbone interact. energy: -0.523
local terms energy: -165.332232
where:
bonds (distance) C4'-P energy: -32.506
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -39.881
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -512.902236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.902236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.902236 (E_RNA)
where:
Base-Base interactions energy: -340.983
where: short stacking energy: -142.779
Base-Backbone interact. energy: -0.492
local terms energy: -171.427608
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -34.612
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -43.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -480.445490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.445490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.445490 (E_RNA)
where:
Base-Base interactions energy: -323.010
where: short stacking energy: -126.867
Base-Backbone interact. energy: -0.197
local terms energy: -157.238579
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -26.289
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: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -417.917215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.917215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.917215 (E_RNA)
where:
Base-Base interactions energy: -270.301
where: short stacking energy: -132.320
Base-Backbone interact. energy: -0.896
local terms energy: -146.719951
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -364.199180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.199180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.199180 (E_RNA)
where:
Base-Base interactions energy: -235.055
where: short stacking energy: -115.649
Base-Backbone interact. energy: -0.025
local terms energy: -129.119744
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -30.055
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -254.185358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.185358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.185358 (E_RNA)
where:
Base-Base interactions energy: -146.157
where: short stacking energy: -77.142
Base-Backbone interact. energy: -0.096
local terms energy: -107.932512
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -29.819
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -14.366
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: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -156.741375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.741375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.741375 (E_RNA)
where:
Base-Base interactions energy: -55.942
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.165
local terms energy: -100.633978
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -9.256
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: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -139.876527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.876527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.876527 (E_RNA)
where:
Base-Base interactions energy: -55.796
where: short stacking energy: -38.385
Base-Backbone interact. energy: 0.203
local terms energy: -84.283466
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: 5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -558.210922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.210922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.210922 (E_RNA)
where:
Base-Base interactions energy: -376.991
where: short stacking energy: -158.455
Base-Backbone interact. energy: 2.475
local terms energy: -183.695042
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -43.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -536.046516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.046516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.046516 (E_RNA)
where:
Base-Base interactions energy: -370.931
where: short stacking energy: -156.778
Base-Backbone interact. energy: -0.793
local terms energy: -164.323050
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -52.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -516.625216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.625216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.625216 (E_RNA)
where:
Base-Base interactions energy: -351.161
where: short stacking energy: -146.061
Base-Backbone interact. energy: -1.379
local terms energy: -164.084790
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -33.438
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -47.145
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: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -517.869519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.869519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.869519 (E_RNA)
where:
Base-Base interactions energy: -351.544
where: short stacking energy: -148.151
Base-Backbone interact. energy: -0.449
local terms energy: -165.877070
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -42.074
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: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -492.378845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.378845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.378845 (E_RNA)
where:
Base-Base interactions energy: -341.047
where: short stacking energy: -129.785
Base-Backbone interact. energy: -0.274
local terms energy: -151.057380
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -37.787
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: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -408.641405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.641405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.641405 (E_RNA)
where:
Base-Base interactions energy: -263.644
where: short stacking energy: -105.279
Base-Backbone interact. energy: -1.907
local terms energy: -143.089981
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -381.582790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.582790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.582790 (E_RNA)
where:
Base-Base interactions energy: -245.001
where: short stacking energy: -114.498
Base-Backbone interact. energy: -0.218
local terms energy: -136.363917
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -29.413
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: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -256.236912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.236912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.236912 (E_RNA)
where:
Base-Base interactions energy: -134.462
where: short stacking energy: -74.045
Base-Backbone interact. energy: 1.377
local terms energy: -123.151572
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -13.467
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: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -151.729322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.729322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.729322 (E_RNA)
where:
Base-Base interactions energy: -43.530
where: short stacking energy: -34.352
Base-Backbone interact. energy: -0.210
local terms energy: -107.989625
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -0.216
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -152.101049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.101049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.101049 (E_RNA)
where:
Base-Base interactions energy: -55.603
where: short stacking energy: -37.123
Base-Backbone interact. energy: 0.078
local terms energy: -96.576143
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: 5.861
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: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -552.915364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.915364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.915364 (E_RNA)
where:
Base-Base interactions energy: -372.359
where: short stacking energy: -159.203
Base-Backbone interact. energy: -0.776
local terms energy: -179.781195
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -46.430
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -537.173898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.173898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.173898 (E_RNA)
where:
Base-Base interactions energy: -361.669
where: short stacking energy: -159.462
Base-Backbone interact. energy: -0.013
local terms energy: -175.492091
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -37.214
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -51.680
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: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -520.026639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.026639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.026639 (E_RNA)
where:
Base-Base interactions energy: -349.749
where: short stacking energy: -152.695
Base-Backbone interact. energy: -0.231
local terms energy: -170.047609
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -31.036
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -45.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -500.232272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.232272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.232272 (E_RNA)
where:
Base-Base interactions energy: -331.320
where: short stacking energy: -148.401
Base-Backbone interact. energy: 0.043
local terms energy: -168.955451
where:
bonds (distance) C4'-P energy: -37.669
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -27.062
tors. eta vs tors. theta energy: -44.698
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: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -496.631487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.631487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.631487 (E_RNA)
where:
Base-Base interactions energy: -333.276
where: short stacking energy: -136.045
Base-Backbone interact. energy: -0.202
local terms energy: -163.154075
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -35.118
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -45.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -403.141155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.141155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.141155 (E_RNA)
where:
Base-Base interactions energy: -267.100
where: short stacking energy: -114.978
Base-Backbone interact. energy: -0.481
local terms energy: -135.559986
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -371.173455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.173455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.173455 (E_RNA)
where:
Base-Base interactions energy: -245.147
where: short stacking energy: -115.318
Base-Backbone interact. energy: -0.400
local terms energy: -125.626444
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -28.075
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -266.607307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.607307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.607307 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -86.227
Base-Backbone interact. energy: -0.416
local terms energy: -117.290180
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -20.287
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: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -156.682357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.682357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.682357 (E_RNA)
where:
Base-Base interactions energy: -52.149
where: short stacking energy: -44.581
Base-Backbone interact. energy: -0.270
local terms energy: -104.263368
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -9.242
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: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -145.877121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.877121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.877121 (E_RNA)
where:
Base-Base interactions energy: -56.633
where: short stacking energy: -48.943
Base-Backbone interact. energy: -0.287
local terms energy: -88.956975
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -29.686
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -24.518
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: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -551.158195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.158195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.158195 (E_RNA)
where:
Base-Base interactions energy: -379.816
where: short stacking energy: -168.129
Base-Backbone interact. energy: -0.247
local terms energy: -171.094668
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -52.972
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: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -544.744228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.744228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.744228 (E_RNA)
where:
Base-Base interactions energy: -374.733
where: short stacking energy: -156.970
Base-Backbone interact. energy: -0.224
local terms energy: -169.786976
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -49.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -529.104980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.104980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.104980 (E_RNA)
where:
Base-Base interactions energy: -359.019
where: short stacking energy: -154.732
Base-Backbone interact. energy: -0.670
local terms energy: -169.415776
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -41.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -513.594058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.594058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.594058 (E_RNA)
where:
Base-Base interactions energy: -350.438
where: short stacking energy: -144.303
Base-Backbone interact. energy: -0.011
local terms energy: -163.145520
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -23.990
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: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -516.230127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.230127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.230127 (E_RNA)
where:
Base-Base interactions energy: -350.311
where: short stacking energy: -145.714
Base-Backbone interact. energy: -0.292
local terms energy: -165.626731
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -38.004
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -44.143
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: 248
Temperature: 1.150000
Total energy: -416.971485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.971485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.971485 (E_RNA)
where:
Base-Base interactions energy: -271.930
where: short stacking energy: -117.241
Base-Backbone interact. energy: -0.442
local terms energy: -144.599452
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -35.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -396.760813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.760813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.760813 (E_RNA)
where:
Base-Base interactions energy: -239.325
where: short stacking energy: -110.499
Base-Backbone interact. energy: -0.143
local terms energy: -157.293247
where:
bonds (distance) C4'-P energy: -35.574
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -29.907
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: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -249.012762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.012762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.012762 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -70.441
Base-Backbone interact. energy: 0.723
local terms energy: -104.911887
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -158.472104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.472104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.472104 (E_RNA)
where:
Base-Base interactions energy: -53.755
where: short stacking energy: -37.934
Base-Backbone interact. energy: -0.391
local terms energy: -104.326152
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: 2.391
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: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -141.522386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.522386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.522386 (E_RNA)
where:
Base-Base interactions energy: -63.876
where: short stacking energy: -61.248
Base-Backbone interact. energy: 2.768
local terms energy: -80.414273
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -3.254
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: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -561.968781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.968781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.968781 (E_RNA)
where:
Base-Base interactions energy: -380.805
where: short stacking energy: -158.812
Base-Backbone interact. energy: -0.189
local terms energy: -180.974378
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -47.866
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: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -548.504215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.504215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.504215 (E_RNA)
where:
Base-Base interactions energy: -367.031
where: short stacking energy: -162.677
Base-Backbone interact. energy: -0.141
local terms energy: -181.331327
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -36.964
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -48.928
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -537.322446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.322446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.322446 (E_RNA)
where:
Base-Base interactions energy: -372.300
where: short stacking energy: -162.262
Base-Backbone interact. energy: -0.218
local terms energy: -164.804534
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -48.495
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: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -502.398673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.398673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.398673 (E_RNA)
where:
Base-Base interactions energy: -337.520
where: short stacking energy: -143.321
Base-Backbone interact. energy: 1.195
local terms energy: -166.074199
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -44.306
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -497.469894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.469894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.469894 (E_RNA)
where:
Base-Base interactions energy: -345.209
where: short stacking energy: -129.916
Base-Backbone interact. energy: -0.395
local terms energy: -151.866606
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -40.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -402.030581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.030581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.030581 (E_RNA)
where:
Base-Base interactions energy: -256.284
where: short stacking energy: -119.223
Base-Backbone interact. energy: 0.481
local terms energy: -146.227398
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -378.134292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.134292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.134292 (E_RNA)
where:
Base-Base interactions energy: -234.560
where: short stacking energy: -101.015
Base-Backbone interact. energy: -0.455
local terms energy: -143.119697
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -20.466
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: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -246.787484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.787484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.787484 (E_RNA)
where:
Base-Base interactions energy: -140.095
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.571
local terms energy: -106.121439
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -1.893
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: 249
Temperature: 1.300000
Total energy: -142.540832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.540832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.540832 (E_RNA)
where:
Base-Base interactions energy: -45.134
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.123
local terms energy: -97.283869
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -0.954
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: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -141.535888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.535888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.535888 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -26.072
Base-Backbone interact. energy: 1.036
local terms energy: -101.790614
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -31.490
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: 0.150
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: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -564.300016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.300016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.300016 (E_RNA)
where:
Base-Base interactions energy: -385.566
where: short stacking energy: -154.710
Base-Backbone interact. energy: -0.501
local terms energy: -178.232896
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -28.669
tors. eta vs tors. theta energy: -49.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -534.122657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.122657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.122657 (E_RNA)
where:
Base-Base interactions energy: -363.148
where: short stacking energy: -150.452
Base-Backbone interact. energy: -0.352
local terms energy: -170.622629
where:
bonds (distance) C4'-P energy: -30.222
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -36.835
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -49.086
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -535.933430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.933430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.933430 (E_RNA)
where:
Base-Base interactions energy: -364.495
where: short stacking energy: -152.500
Base-Backbone interact. energy: -0.050
local terms energy: -171.388647
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -48.962
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: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -517.386276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.386276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.386276 (E_RNA)
where:
Base-Base interactions energy: -355.627
where: short stacking energy: -149.498
Base-Backbone interact. energy: -0.892
local terms energy: -160.866997
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: -48.153
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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -509.455545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.455545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.455545 (E_RNA)
where:
Base-Base interactions energy: -346.738
where: short stacking energy: -146.688
Base-Backbone interact. energy: -0.072
local terms energy: -162.645276
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -48.085
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: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -404.492810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.492810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.492810 (E_RNA)
where:
Base-Base interactions energy: -269.784
where: short stacking energy: -126.181
Base-Backbone interact. energy: -0.228
local terms energy: -134.480273
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -38.442
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: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -385.332734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.332734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.332734 (E_RNA)
where:
Base-Base interactions energy: -253.037
where: short stacking energy: -107.959
Base-Backbone interact. energy: -0.078
local terms energy: -132.217705
where:
bonds (distance) C4'-P energy: -31.612
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -21.604
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: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -252.277623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.277623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.277623 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -80.560
Base-Backbone interact. energy: 0.948
local terms energy: -119.607350
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -189.231458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.231458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.231458 (E_RNA)
where:
Base-Base interactions energy: -95.114
where: short stacking energy: -40.925
Base-Backbone interact. energy: 0.799
local terms energy: -94.917095
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -31.321
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: 0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -136.669981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.669981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.669981 (E_RNA)
where:
Base-Base interactions energy: -37.426
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.290
local terms energy: -98.953952
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: 1.352
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: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -556.606801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.606801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.606801 (E_RNA)
where:
Base-Base interactions energy: -384.948
where: short stacking energy: -156.661
Base-Backbone interact. energy: -0.309
local terms energy: -171.349601
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -534.727447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.727447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.727447 (E_RNA)
where:
Base-Base interactions energy: -367.439
where: short stacking energy: -163.812
Base-Backbone interact. energy: -0.071
local terms energy: -167.217229
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -51.383
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: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -526.012722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.012722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.012722 (E_RNA)
where:
Base-Base interactions energy: -362.785
where: short stacking energy: -141.480
Base-Backbone interact. energy: -0.310
local terms energy: -162.917873
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -35.516
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -42.120
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: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -511.740453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.740453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.740453 (E_RNA)
where:
Base-Base interactions energy: -356.793
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.155
local terms energy: -154.793017
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -21.317
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -501.344874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.344874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.344874 (E_RNA)
where:
Base-Base interactions energy: -340.434
where: short stacking energy: -139.158
Base-Backbone interact. energy: -0.328
local terms energy: -160.582650
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -38.667
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -402.775341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.775341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.775341 (E_RNA)
where:
Base-Base interactions energy: -253.623
where: short stacking energy: -118.751
Base-Backbone interact. energy: -0.203
local terms energy: -148.950224
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -41.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -381.829794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.829794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.829794 (E_RNA)
where:
Base-Base interactions energy: -250.172
where: short stacking energy: -95.309
Base-Backbone interact. energy: -0.231
local terms energy: -131.426001
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -22.333
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -311.982377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.982377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.982377 (E_RNA)
where:
Base-Base interactions energy: -177.815
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.763
local terms energy: -133.404452
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -147.209704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.209704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.209704 (E_RNA)
where:
Base-Base interactions energy: -53.973
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.499
local terms energy: -92.737797
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: 1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -135.010628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.010628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.010628 (E_RNA)
where:
Base-Base interactions energy: -51.397
where: short stacking energy: -49.148
Base-Backbone interact. energy: -1.298
local terms energy: -82.316102
where:
bonds (distance) C4'-P energy: -28.514
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -1.107
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: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -546.314925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.314925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.314925 (E_RNA)
where:
Base-Base interactions energy: -373.653
where: short stacking energy: -170.112
Base-Backbone interact. energy: -0.565
local terms energy: -172.097698
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -53.368
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: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -557.988966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.988966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.988966 (E_RNA)
where:
Base-Base interactions energy: -381.718
where: short stacking energy: -151.756
Base-Backbone interact. energy: 0.846
local terms energy: -177.116506
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -45.546
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -504.317406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.317406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.317406 (E_RNA)
where:
Base-Base interactions energy: -343.564
where: short stacking energy: -141.152
Base-Backbone interact. energy: -0.693
local terms energy: -160.061143
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -39.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -527.911557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.911557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.911557 (E_RNA)
where:
Base-Base interactions energy: -366.404
where: short stacking energy: -158.093
Base-Backbone interact. energy: -0.119
local terms energy: -161.387906
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: -45.856
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -508.007048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.007048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.007048 (E_RNA)
where:
Base-Base interactions energy: -340.984
where: short stacking energy: -146.938
Base-Backbone interact. energy: 0.665
local terms energy: -167.688383
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -36.201
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -46.179
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: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -388.437676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.437676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.437676 (E_RNA)
where:
Base-Base interactions energy: -244.819
where: short stacking energy: -122.014
Base-Backbone interact. energy: -0.306
local terms energy: -143.312391
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -34.790
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: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -308.380218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.380218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.380218 (E_RNA)
where:
Base-Base interactions energy: -186.710
where: short stacking energy: -70.612
Base-Backbone interact. energy: -1.603
local terms energy: -120.067058
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -9.458
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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -360.159286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.159286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.159286 (E_RNA)
where:
Base-Base interactions energy: -241.643
where: short stacking energy: -100.724
Base-Backbone interact. energy: -0.668
local terms energy: -117.848616
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -26.408
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -27.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -157.429063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.429063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.429063 (E_RNA)
where:
Base-Base interactions energy: -55.851
where: short stacking energy: -33.139
Base-Backbone interact. energy: 0.107
local terms energy: -101.684661
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -33.413
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: 0.444
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: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -155.665291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.665291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.665291 (E_RNA)
where:
Base-Base interactions energy: -45.604
where: short stacking energy: -41.599
Base-Backbone interact. energy: -0.777
local terms energy: -109.284069
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -5.358
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: 253
Temperature: 0.900000
Total energy: -551.364252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.364252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.364252 (E_RNA)
where:
Base-Base interactions energy: -380.765
where: short stacking energy: -151.993
Base-Backbone interact. energy: -0.279
local terms energy: -170.320327
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -36.837
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -44.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -534.824607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.824607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.824607 (E_RNA)
where:
Base-Base interactions energy: -367.043
where: short stacking energy: -159.489
Base-Backbone interact. energy: -0.236
local terms energy: -167.545619
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -48.625
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: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -536.388013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.388013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.388013 (E_RNA)
where:
Base-Base interactions energy: -361.144
where: short stacking energy: -145.439
Base-Backbone interact. energy: -0.979
local terms energy: -174.264806
where:
bonds (distance) C4'-P energy: -35.005
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -37.536
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -46.559
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -512.627832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.627832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.627832 (E_RNA)
where:
Base-Base interactions energy: -342.837
where: short stacking energy: -151.517
Base-Backbone interact. energy: -1.087
local terms energy: -168.703100
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -47.275
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: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -517.866285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.866285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.866285 (E_RNA)
where:
Base-Base interactions energy: -347.614
where: short stacking energy: -153.662
Base-Backbone interact. energy: -0.073
local terms energy: -170.179573
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -43.313
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: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -384.665219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.665219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.665219 (E_RNA)
where:
Base-Base interactions energy: -241.801
where: short stacking energy: -112.891
Base-Backbone interact. energy: 0.276
local terms energy: -143.139442
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -33.562
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: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -340.293170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.293170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.293170 (E_RNA)
where:
Base-Base interactions energy: -207.007
where: short stacking energy: -97.494
Base-Backbone interact. energy: -1.734
local terms energy: -131.552256
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -29.212
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: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -363.092290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.092290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.092290 (E_RNA)
where:
Base-Base interactions energy: -242.615
where: short stacking energy: -104.458
Base-Backbone interact. energy: -0.986
local terms energy: -119.491235
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -19.791
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: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -146.739522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.739522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.739522 (E_RNA)
where:
Base-Base interactions energy: -50.518
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.109
local terms energy: -96.112117
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: 3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -145.069956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.069956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.069956 (E_RNA)
where:
Base-Base interactions energy: -37.428
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.434
local terms energy: -107.208023
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -546.612542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.612542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.612542 (E_RNA)
where:
Base-Base interactions energy: -376.186
where: short stacking energy: -152.427
Base-Backbone interact. energy: -0.752
local terms energy: -169.674620
where:
bonds (distance) C4'-P energy: -31.123
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -46.953
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -537.781718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.781718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.781718 (E_RNA)
where:
Base-Base interactions energy: -360.440
where: short stacking energy: -141.197
Base-Backbone interact. energy: -0.479
local terms energy: -176.862749
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -36.332
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -46.301
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: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -521.818147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.818147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.818147 (E_RNA)
where:
Base-Base interactions energy: -360.478
where: short stacking energy: -150.421
Base-Backbone interact. energy: -0.848
local terms energy: -160.491778
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -39.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -518.018984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.018984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.018984 (E_RNA)
where:
Base-Base interactions energy: -348.544
where: short stacking energy: -146.646
Base-Backbone interact. energy: -0.982
local terms energy: -168.493462
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -49.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -509.651191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.651191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.651191 (E_RNA)
where:
Base-Base interactions energy: -348.578
where: short stacking energy: -152.044
Base-Backbone interact. energy: -0.705
local terms energy: -160.368236
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: -45.511
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: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -394.424093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.424093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.424093 (E_RNA)
where:
Base-Base interactions energy: -250.777
where: short stacking energy: -108.445
Base-Backbone interact. energy: 0.581
local terms energy: -144.227975
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -29.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -374.418234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.418234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.418234 (E_RNA)
where:
Base-Base interactions energy: -252.150
where: short stacking energy: -105.646
Base-Backbone interact. energy: 0.115
local terms energy: -122.382955
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -33.870
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -26.363
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -334.912239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.912239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.912239 (E_RNA)
where:
Base-Base interactions energy: -206.970
where: short stacking energy: -92.574
Base-Backbone interact. energy: 2.116
local terms energy: -130.057986
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -157.954934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.954934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.954934 (E_RNA)
where:
Base-Base interactions energy: -62.025
where: short stacking energy: -44.755
Base-Backbone interact. energy: -0.391
local terms energy: -95.539657
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -4.157
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: 254
Temperature: 1.350000
Total energy: -168.726319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.726319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.726319 (E_RNA)
where:
Base-Base interactions energy: -82.531
where: short stacking energy: -39.415
Base-Backbone interact. energy: -0.013
local terms energy: -86.182035
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: 6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -546.832556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.832556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.832556 (E_RNA)
where:
Base-Base interactions energy: -365.771
where: short stacking energy: -158.308
Base-Backbone interact. energy: -0.402
local terms energy: -180.659367
where:
bonds (distance) C4'-P energy: -39.274
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -47.101
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: 255
Temperature: 0.950000
Total energy: -537.902169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.902169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.902169 (E_RNA)
where:
Base-Base interactions energy: -388.891
where: short stacking energy: -154.575
Base-Backbone interact. energy: 0.713
local terms energy: -149.724043
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -31.355
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -38.359
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: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -520.890326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.890326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.890326 (E_RNA)
where:
Base-Base interactions energy: -352.073
where: short stacking energy: -152.065
Base-Backbone interact. energy: -0.127
local terms energy: -168.689627
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -30.487
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -50.528
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: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -517.726330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.726330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.726330 (E_RNA)
where:
Base-Base interactions energy: -355.957
where: short stacking energy: -145.798
Base-Backbone interact. energy: -0.536
local terms energy: -161.233541
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -49.740
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: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -490.355609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.355609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.355609 (E_RNA)
where:
Base-Base interactions energy: -337.689
where: short stacking energy: -136.006
Base-Backbone interact. energy: -0.012
local terms energy: -152.654202
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -40.187
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: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -399.269443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.269443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.269443 (E_RNA)
where:
Base-Base interactions energy: -266.703
where: short stacking energy: -119.611
Base-Backbone interact. energy: -0.505
local terms energy: -132.061214
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -33.735
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: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -356.362227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.362227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.362227 (E_RNA)
where:
Base-Base interactions energy: -228.255
where: short stacking energy: -99.367
Base-Backbone interact. energy: -0.908
local terms energy: -127.199305
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -327.562805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.562805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.562805 (E_RNA)
where:
Base-Base interactions energy: -198.441
where: short stacking energy: -91.454
Base-Backbone interact. energy: -1.189
local terms energy: -127.932634
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -143.848625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.848625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.848625 (E_RNA)
where:
Base-Base interactions energy: -44.360
where: short stacking energy: -44.162
Base-Backbone interact. energy: -0.409
local terms energy: -99.079667
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -2.516
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: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -209.951479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.951479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.951479 (E_RNA)
where:
Base-Base interactions energy: -108.252
where: short stacking energy: -64.839
Base-Backbone interact. energy: 1.102
local terms energy: -102.801630
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -5.189
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: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -546.696601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.696601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.696601 (E_RNA)
where:
Base-Base interactions energy: -364.262
where: short stacking energy: -159.950
Base-Backbone interact. energy: -0.045
local terms energy: -182.389672
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: -50.941
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: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -554.314539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.314539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.314539 (E_RNA)
where:
Base-Base interactions energy: -369.302
where: short stacking energy: -168.089
Base-Backbone interact. energy: -0.745
local terms energy: -184.266862
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -49.536
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: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -534.142112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.142112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.142112 (E_RNA)
where:
Base-Base interactions energy: -362.054
where: short stacking energy: -147.293
Base-Backbone interact. energy: -0.380
local terms energy: -171.707775
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -26.374
tors. eta vs tors. theta energy: -47.330
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: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -520.302953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.302953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.302953 (E_RNA)
where:
Base-Base interactions energy: -361.102
where: short stacking energy: -153.269
Base-Backbone interact. energy: -0.831
local terms energy: -158.369741
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -48.403
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: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -489.819926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.819926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.819926 (E_RNA)
where:
Base-Base interactions energy: -339.939
where: short stacking energy: -147.631
Base-Backbone interact. energy: -1.470
local terms energy: -148.410761
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -42.334
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: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -395.699060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.699060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.699060 (E_RNA)
where:
Base-Base interactions energy: -256.900
where: short stacking energy: -119.274
Base-Backbone interact. energy: 0.034
local terms energy: -138.832241
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -33.127
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: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -310.795390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.795390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.795390 (E_RNA)
where:
Base-Base interactions energy: -192.122
where: short stacking energy: -93.251
Base-Backbone interact. energy: -1.138
local terms energy: -117.534459
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -19.963
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: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -333.840589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.840589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.840589 (E_RNA)
where:
Base-Base interactions energy: -209.240
where: short stacking energy: -96.347
Base-Backbone interact. energy: -1.140
local terms energy: -123.460431
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -32.905
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -243.151851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.151851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.151851 (E_RNA)
where:
Base-Base interactions energy: -135.754
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.633
local terms energy: -106.765265
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -7.988
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: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -143.951816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.951816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.951816 (E_RNA)
where:
Base-Base interactions energy: -52.297
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.768
local terms energy: -90.886444
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -0.759
tors. eta vs tors. theta energy: -10.860
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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -558.169591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.169591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.169591 (E_RNA)
where:
Base-Base interactions energy: -386.544
where: short stacking energy: -154.153
Base-Backbone interact. energy: -0.395
local terms energy: -171.230633
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -49.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -532.037725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.037725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.037725 (E_RNA)
where:
Base-Base interactions energy: -355.009
where: short stacking energy: -149.758
Base-Backbone interact. energy: -0.012
local terms energy: -177.016694
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -49.283
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: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -537.468233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.468233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.468233 (E_RNA)
where:
Base-Base interactions energy: -364.242
where: short stacking energy: -160.606
Base-Backbone interact. energy: 1.306
local terms energy: -174.532280
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -37.814
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -52.836
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: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -518.365571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.365571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.365571 (E_RNA)
where:
Base-Base interactions energy: -366.000
where: short stacking energy: -147.089
Base-Backbone interact. energy: -0.250
local terms energy: -152.115793
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -23.639
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: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -511.766469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.766469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.766469 (E_RNA)
where:
Base-Base interactions energy: -335.722
where: short stacking energy: -151.881
Base-Backbone interact. energy: 0.522
local terms energy: -176.567283
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -49.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -416.975098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.975098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.975098 (E_RNA)
where:
Base-Base interactions energy: -270.026
where: short stacking energy: -119.797
Base-Backbone interact. energy: 0.765
local terms energy: -147.714445
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -34.781
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: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -366.458790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.458790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.458790 (E_RNA)
where:
Base-Base interactions energy: -235.977
where: short stacking energy: -107.519
Base-Backbone interact. energy: 1.123
local terms energy: -131.605328
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -32.728
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -23.064
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -341.819661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.819661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.819661 (E_RNA)
where:
Base-Base interactions energy: -218.465
where: short stacking energy: -87.257
Base-Backbone interact. energy: -1.084
local terms energy: -122.270210
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -21.460
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: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -257.469384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.469384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.469384 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.589
local terms energy: -130.389272
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -132.615366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.615366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.615366 (E_RNA)
where:
Base-Base interactions energy: -41.197
where: short stacking energy: -39.345
Base-Backbone interact. energy: 1.382
local terms energy: -92.800231
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -12.162
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: 258
Temperature: 0.900000
Total energy: -565.172883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.172883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.172883 (E_RNA)
where:
Base-Base interactions energy: -375.808
where: short stacking energy: -168.645
Base-Backbone interact. energy: -0.013
local terms energy: -189.351753
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -38.280
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -50.760
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: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -535.464801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.464801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.464801 (E_RNA)
where:
Base-Base interactions energy: -372.294
where: short stacking energy: -154.356
Base-Backbone interact. energy: -0.763
local terms energy: -162.407456
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -35.621
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -47.971
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -528.893035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.893035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.893035 (E_RNA)
where:
Base-Base interactions energy: -363.246
where: short stacking energy: -155.762
Base-Backbone interact. energy: -2.346
local terms energy: -163.300521
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -36.876
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -43.463
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -497.141907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.141907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.141907 (E_RNA)
where:
Base-Base interactions energy: -342.069
where: short stacking energy: -143.467
Base-Backbone interact. energy: -0.175
local terms energy: -154.897548
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: -37.971
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: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -513.507507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.507507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.507507 (E_RNA)
where:
Base-Base interactions energy: -349.990
where: short stacking energy: -155.415
Base-Backbone interact. energy: -0.671
local terms energy: -162.846501
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -49.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -416.849262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.849262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.849262 (E_RNA)
where:
Base-Base interactions energy: -280.183
where: short stacking energy: -128.545
Base-Backbone interact. energy: -1.014
local terms energy: -135.651974
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -38.130
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: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -352.788562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.788562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.788562 (E_RNA)
where:
Base-Base interactions energy: -223.829
where: short stacking energy: -83.001
Base-Backbone interact. energy: 1.937
local terms energy: -130.896445
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -30.190
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -28.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -359.053172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.053172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.053172 (E_RNA)
where:
Base-Base interactions energy: -232.632
where: short stacking energy: -109.308
Base-Backbone interact. energy: 0.107
local terms energy: -126.528857
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -29.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -237.520999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.520999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.520999 (E_RNA)
where:
Base-Base interactions energy: -130.743
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.561
local terms energy: -106.216312
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -18.824
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: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -145.230077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.230077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.230077 (E_RNA)
where:
Base-Base interactions energy: -52.855
where: short stacking energy: -43.735
Base-Backbone interact. energy: 0.450
local terms energy: -92.825918
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: 4.002
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: 259
Temperature: 0.900000
Total energy: -550.384450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.384450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.384450 (E_RNA)
where:
Base-Base interactions energy: -367.911
where: short stacking energy: -162.394
Base-Backbone interact. energy: -0.645
local terms energy: -181.828251
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -32.641
flat angles C4'-P-C4' energy: -40.046
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -47.526
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: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -550.619652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.619652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.619652 (E_RNA)
where:
Base-Base interactions energy: -367.341
where: short stacking energy: -165.440
Base-Backbone interact. energy: 1.175
local terms energy: -184.453555
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -51.792
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: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -521.517156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.517156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.517156 (E_RNA)
where:
Base-Base interactions energy: -359.596
where: short stacking energy: -143.951
Base-Backbone interact. energy: -1.602
local terms energy: -160.318618
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -43.407
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: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -502.829245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.829245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.829245 (E_RNA)
where:
Base-Base interactions energy: -342.314
where: short stacking energy: -136.513
Base-Backbone interact. energy: -0.202
local terms energy: -160.313006
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -40.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -505.314937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.314937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.314937 (E_RNA)
where:
Base-Base interactions energy: -353.957
where: short stacking energy: -139.997
Base-Backbone interact. energy: -0.174
local terms energy: -151.183977
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -39.619
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: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -418.954944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.954944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.954944 (E_RNA)
where:
Base-Base interactions energy: -263.768
where: short stacking energy: -138.866
Base-Backbone interact. energy: -0.008
local terms energy: -155.179618
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -43.678
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -349.989075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.989075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.989075 (E_RNA)
where:
Base-Base interactions energy: -229.273
where: short stacking energy: -104.391
Base-Backbone interact. energy: 1.926
local terms energy: -122.641824
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -27.352
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: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -370.469799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.469799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.469799 (E_RNA)
where:
Base-Base interactions energy: -229.397
where: short stacking energy: -108.442
Base-Backbone interact. energy: -0.406
local terms energy: -140.667529
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -35.009
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -36.515
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: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -247.045922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.045922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045922 (E_RNA)
where:
Base-Base interactions energy: -131.140
where: short stacking energy: -78.306
Base-Backbone interact. energy: -1.215
local terms energy: -114.690879
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -141.751968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.751968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.751968 (E_RNA)
where:
Base-Base interactions energy: -45.657
where: short stacking energy: -38.634
Base-Backbone interact. energy: -1.474
local terms energy: -94.621388
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -28.679
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: 4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -553.621489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.621489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.621489 (E_RNA)
where:
Base-Base interactions energy: -368.402
where: short stacking energy: -162.086
Base-Backbone interact. energy: -0.298
local terms energy: -184.920723
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -39.769
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: -52.438
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: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -562.150184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.150184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.150184 (E_RNA)
where:
Base-Base interactions energy: -392.200
where: short stacking energy: -163.188
Base-Backbone interact. energy: -0.608
local terms energy: -169.342565
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -49.066
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: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -524.771006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.771006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.771006 (E_RNA)
where:
Base-Base interactions energy: -354.940
where: short stacking energy: -157.998
Base-Backbone interact. energy: -0.346
local terms energy: -169.485927
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -39.125
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -49.078
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: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -521.027740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.027740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.027740 (E_RNA)
where:
Base-Base interactions energy: -359.763
where: short stacking energy: -156.922
Base-Backbone interact. energy: -0.129
local terms energy: -161.135835
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -44.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -507.916555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.916555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.916555 (E_RNA)
where:
Base-Base interactions energy: -362.862
where: short stacking energy: -147.492
Base-Backbone interact. energy: -1.276
local terms energy: -143.778417
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -43.685
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: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -400.021991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.021991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.021991 (E_RNA)
where:
Base-Base interactions energy: -246.384
where: short stacking energy: -108.420
Base-Backbone interact. energy: -0.064
local terms energy: -153.573566
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -29.955
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -38.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -340.700514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.700514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.700514 (E_RNA)
where:
Base-Base interactions energy: -204.545
where: short stacking energy: -87.150
Base-Backbone interact. energy: 0.087
local terms energy: -136.242910
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -27.435
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: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -369.591385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.591385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.591385 (E_RNA)
where:
Base-Base interactions energy: -235.936
where: short stacking energy: -99.118
Base-Backbone interact. energy: -0.829
local terms energy: -132.826624
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -264.377400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.377400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.377400 (E_RNA)
where:
Base-Base interactions energy: -151.800
where: short stacking energy: -78.198
Base-Backbone interact. energy: -0.695
local terms energy: -111.883033
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -142.229761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.229761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.229761 (E_RNA)
where:
Base-Base interactions energy: -59.388
where: short stacking energy: -37.405
Base-Backbone interact. energy: 3.228
local terms energy: -86.069014
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -555.543729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.543729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.543729 (E_RNA)
where:
Base-Base interactions energy: -379.042
where: short stacking energy: -165.584
Base-Backbone interact. energy: -0.416
local terms energy: -176.085694
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -49.667
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: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -558.146545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.146545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.146545 (E_RNA)
where:
Base-Base interactions energy: -389.892
where: short stacking energy: -168.085
Base-Backbone interact. energy: 0.338
local terms energy: -168.592634
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -36.437
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -45.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -534.671831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.671831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.671831 (E_RNA)
where:
Base-Base interactions energy: -367.825
where: short stacking energy: -146.767
Base-Backbone interact. energy: -0.281
local terms energy: -166.565927
where:
bonds (distance) C4'-P energy: -30.580
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -40.566
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -44.048
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: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -514.178104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.178104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.178104 (E_RNA)
where:
Base-Base interactions energy: -351.929
where: short stacking energy: -154.720
Base-Backbone interact. energy: -0.056
local terms energy: -162.193706
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -45.926
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: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -488.531040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.531040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.531040 (E_RNA)
where:
Base-Base interactions energy: -327.070
where: short stacking energy: -142.565
Base-Backbone interact. energy: -1.450
local terms energy: -160.010997
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -42.931
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: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -372.698918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.698918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.698918 (E_RNA)
where:
Base-Base interactions energy: -232.486
where: short stacking energy: -118.399
Base-Backbone interact. energy: -0.748
local terms energy: -139.464963
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -37.836
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: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -345.091400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.091400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.091400 (E_RNA)
where:
Base-Base interactions energy: -223.489
where: short stacking energy: -85.999
Base-Backbone interact. energy: -0.548
local terms energy: -121.054453
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -380.771837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.771837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.771837 (E_RNA)
where:
Base-Base interactions energy: -249.096
where: short stacking energy: -119.904
Base-Backbone interact. energy: -0.068
local terms energy: -131.607730
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -232.367037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.367037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.367037 (E_RNA)
where:
Base-Base interactions energy: -127.041
where: short stacking energy: -63.458
Base-Backbone interact. energy: -0.813
local terms energy: -104.513078
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -9.697
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: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -140.136013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.136013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.136013 (E_RNA)
where:
Base-Base interactions energy: -42.022
where: short stacking energy: -40.783
Base-Backbone interact. energy: -1.174
local terms energy: -96.940058
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -553.537545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.537545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.537545 (E_RNA)
where:
Base-Base interactions energy: -370.806
where: short stacking energy: -164.039
Base-Backbone interact. energy: -0.036
local terms energy: -182.695247
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -39.001
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -48.543
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: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -537.997117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.997117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.997117 (E_RNA)
where:
Base-Base interactions energy: -363.041
where: short stacking energy: -159.388
Base-Backbone interact. energy: -0.109
local terms energy: -174.847432
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -38.842
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -48.567
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: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -526.887498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.887498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.887498 (E_RNA)
where:
Base-Base interactions energy: -375.865
where: short stacking energy: -146.275
Base-Backbone interact. energy: 0.063
local terms energy: -151.085713
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -502.660811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.660811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.660811 (E_RNA)
where:
Base-Base interactions energy: -345.897
where: short stacking energy: -141.764
Base-Backbone interact. energy: 0.790
local terms energy: -157.554604
where:
bonds (distance) C4'-P energy: -27.758
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: -38.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -513.265698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.265698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.265698 (E_RNA)
where:
Base-Base interactions energy: -361.592
where: short stacking energy: -150.419
Base-Backbone interact. energy: 2.355
local terms energy: -154.028407
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -47.195
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: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -403.978487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.978487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.978487 (E_RNA)
where:
Base-Base interactions energy: -251.804
where: short stacking energy: -107.696
Base-Backbone interact. energy: -1.386
local terms energy: -150.787812
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -35.355
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: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -336.708994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.708994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.708994 (E_RNA)
where:
Base-Base interactions energy: -205.133
where: short stacking energy: -106.265
Base-Backbone interact. energy: 0.714
local terms energy: -132.289380
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -24.779
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: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -266.252535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.252535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.252535 (E_RNA)
where:
Base-Base interactions energy: -169.226
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.208
local terms energy: -96.818218
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -233.984918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.984918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.984918 (E_RNA)
where:
Base-Base interactions energy: -111.696
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.284
local terms energy: -122.004305
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -152.867639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.867639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.867639 (E_RNA)
where:
Base-Base interactions energy: -48.118
where: short stacking energy: -38.864
Base-Backbone interact. energy: 2.023
local terms energy: -106.773096
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -0.079
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: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -551.594287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.594287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.594287 (E_RNA)
where:
Base-Base interactions energy: -380.435
where: short stacking energy: -156.160
Base-Backbone interact. energy: -0.708
local terms energy: -170.450988
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -34.628
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -43.225
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: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -540.888281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.888281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.888281 (E_RNA)
where:
Base-Base interactions energy: -372.234
where: short stacking energy: -165.881
Base-Backbone interact. energy: -0.075
local terms energy: -168.579974
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -51.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -520.180576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.180576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.180576 (E_RNA)
where:
Base-Base interactions energy: -361.179
where: short stacking energy: -148.466
Base-Backbone interact. energy: -0.404
local terms energy: -158.598234
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -43.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -506.424398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.424398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.424398 (E_RNA)
where:
Base-Base interactions energy: -352.180
where: short stacking energy: -140.455
Base-Backbone interact. energy: 0.254
local terms energy: -154.497873
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -45.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -488.616657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.616657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.616657 (E_RNA)
where:
Base-Base interactions energy: -335.811
where: short stacking energy: -138.601
Base-Backbone interact. energy: -0.109
local terms energy: -152.696649
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -36.869
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: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -404.970604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.970604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.970604 (E_RNA)
where:
Base-Base interactions energy: -261.891
where: short stacking energy: -120.800
Base-Backbone interact. energy: -1.325
local terms energy: -141.754138
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -36.031
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -32.038
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: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -354.572763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.572763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.572763 (E_RNA)
where:
Base-Base interactions energy: -228.004
where: short stacking energy: -104.379
Base-Backbone interact. energy: -1.972
local terms energy: -124.597500
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -21.731
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: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -267.224324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.224324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.224324 (E_RNA)
where:
Base-Base interactions energy: -159.935
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.987
local terms energy: -106.302321
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -12.504
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: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -250.371534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.371534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.371534 (E_RNA)
where:
Base-Base interactions energy: -132.348
where: short stacking energy: -81.014
Base-Backbone interact. energy: 0.002
local terms energy: -118.025887
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -151.383339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.383339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.383339 (E_RNA)
where:
Base-Base interactions energy: -55.542
where: short stacking energy: -49.196
Base-Backbone interact. energy: -0.499
local terms energy: -95.342855
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -21.702
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -551.823663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.823663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.823663 (E_RNA)
where:
Base-Base interactions energy: -379.010
where: short stacking energy: -164.641
Base-Backbone interact. energy: 0.421
local terms energy: -173.235135
where:
bonds (distance) C4'-P energy: -35.926
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -46.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -551.918882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.918882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.918882 (E_RNA)
where:
Base-Base interactions energy: -384.913
where: short stacking energy: -159.287
Base-Backbone interact. energy: 0.789
local terms energy: -167.795259
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: -48.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -525.932860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.932860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.932860 (E_RNA)
where:
Base-Base interactions energy: -359.838
where: short stacking energy: -151.825
Base-Backbone interact. energy: -0.277
local terms energy: -165.817642
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -46.925
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -502.650315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.650315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.650315 (E_RNA)
where:
Base-Base interactions energy: -343.056
where: short stacking energy: -137.945
Base-Backbone interact. energy: -0.465
local terms energy: -159.129224
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -35.128
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -37.909
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: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -487.826327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.826327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.826327 (E_RNA)
where:
Base-Base interactions energy: -340.435
where: short stacking energy: -128.196
Base-Backbone interact. energy: -0.235
local terms energy: -147.155876
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -26.163
tors. eta vs tors. theta energy: -34.585
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: 264
Temperature: 1.150000
Total energy: -398.410046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.410046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.410046 (E_RNA)
where:
Base-Base interactions energy: -256.922
where: short stacking energy: -129.633
Base-Backbone interact. energy: -1.234
local terms energy: -140.254031
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -34.189
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: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -347.304177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.304177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.304177 (E_RNA)
where:
Base-Base interactions energy: -215.851
where: short stacking energy: -101.125
Base-Backbone interact. energy: 1.201
local terms energy: -132.654474
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -26.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -284.499373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.499373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.499373 (E_RNA)
where:
Base-Base interactions energy: -173.560
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.677
local terms energy: -110.262900
where:
bonds (distance) C4'-P energy: -34.912
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -7.242
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: 264
Temperature: 1.300000
Total energy: -246.550374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.550374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.550374 (E_RNA)
where:
Base-Base interactions energy: -134.054
where: short stacking energy: -67.622
Base-Backbone interact. energy: 3.572
local terms energy: -116.068243
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -141.645729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.645729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.645729 (E_RNA)
where:
Base-Base interactions energy: -41.121
where: short stacking energy: -32.378
Base-Backbone interact. energy: 0.936
local terms energy: -101.460865
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: 0.537
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: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -555.875232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.875232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.875232 (E_RNA)
where:
Base-Base interactions energy: -379.507
where: short stacking energy: -158.036
Base-Backbone interact. energy: -0.123
local terms energy: -176.245729
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -46.649
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: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -549.483054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.483054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.483054 (E_RNA)
where:
Base-Base interactions energy: -372.193
where: short stacking energy: -166.759
Base-Backbone interact. energy: -0.703
local terms energy: -176.586727
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -37.738
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -50.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -528.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.003072 (E_RNA)
where:
Base-Base interactions energy: -352.662
where: short stacking energy: -159.778
Base-Backbone interact. energy: -0.771
local terms energy: -174.570232
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -49.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -513.146234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.146234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.146234 (E_RNA)
where:
Base-Base interactions energy: -345.764
where: short stacking energy: -147.310
Base-Backbone interact. energy: -0.146
local terms energy: -167.236922
where:
bonds (distance) C4'-P energy: -31.422
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -49.478
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -494.798087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.798087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.798087 (E_RNA)
where:
Base-Base interactions energy: -335.282
where: short stacking energy: -145.914
Base-Backbone interact. energy: -0.940
local terms energy: -158.576980
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -34.787
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: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -396.443126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.443126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.443126 (E_RNA)
where:
Base-Base interactions energy: -255.328
where: short stacking energy: -112.378
Base-Backbone interact. energy: -1.650
local terms energy: -139.465911
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -411.789797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.789797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.789797 (E_RNA)
where:
Base-Base interactions energy: -271.464
where: short stacking energy: -128.269
Base-Backbone interact. energy: -0.464
local terms energy: -139.861911
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -37.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -261.227320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.227320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.227320 (E_RNA)
where:
Base-Base interactions energy: -159.216
where: short stacking energy: -68.363
Base-Backbone interact. energy: 2.240
local terms energy: -104.251040
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -293.771449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.771449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.771449 (E_RNA)
where:
Base-Base interactions energy: -180.541
where: short stacking energy: -83.479
Base-Backbone interact. energy: -1.781
local terms energy: -111.449605
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -12.184
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: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -151.281942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.281942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.281942 (E_RNA)
where:
Base-Base interactions energy: -50.007
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.421
local terms energy: -100.853601
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: 2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -551.797384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.797384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.797384 (E_RNA)
where:
Base-Base interactions energy: -372.999
where: short stacking energy: -161.733
Base-Backbone interact. energy: 0.443
local terms energy: -179.240942
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -37.147
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -49.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -541.149279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.149279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.149279 (E_RNA)
where:
Base-Base interactions energy: -369.034
where: short stacking energy: -162.671
Base-Backbone interact. energy: -0.503
local terms energy: -171.612955
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -53.509
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: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -519.916893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.916893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.916893 (E_RNA)
where:
Base-Base interactions energy: -356.482
where: short stacking energy: -135.492
Base-Backbone interact. energy: -0.070
local terms energy: -163.365272
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -42.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -516.578966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.578966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.578966 (E_RNA)
where:
Base-Base interactions energy: -348.909
where: short stacking energy: -144.991
Base-Backbone interact. energy: -1.326
local terms energy: -166.344114
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -48.932
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: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -501.903102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.903102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.903102 (E_RNA)
where:
Base-Base interactions energy: -339.426
where: short stacking energy: -138.624
Base-Backbone interact. energy: -0.850
local terms energy: -161.627379
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -42.707
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: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -402.565184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.565184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.565184 (E_RNA)
where:
Base-Base interactions energy: -259.537
where: short stacking energy: -130.717
Base-Backbone interact. energy: 0.651
local terms energy: -143.679438
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -35.329
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: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -423.897385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.897385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.897385 (E_RNA)
where:
Base-Base interactions energy: -286.648
where: short stacking energy: -122.879
Base-Backbone interact. energy: -1.299
local terms energy: -135.951082
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -34.763
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -269.480522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.480522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.480522 (E_RNA)
where:
Base-Base interactions energy: -161.929
where: short stacking energy: -77.325
Base-Backbone interact. energy: -0.063
local terms energy: -107.487939
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -13.498
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: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -263.928897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.928897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.928897 (E_RNA)
where:
Base-Base interactions energy: -155.106
where: short stacking energy: -68.133
Base-Backbone interact. energy: 0.268
local terms energy: -109.090889
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.850
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: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -150.208933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.208933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.208933 (E_RNA)
where:
Base-Base interactions energy: -55.214
where: short stacking energy: -30.216
Base-Backbone interact. energy: 2.845
local terms energy: -97.840298
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: 6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -551.895395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.895395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.895395 (E_RNA)
where:
Base-Base interactions energy: -380.763
where: short stacking energy: -165.666
Base-Backbone interact. energy: -0.063
local terms energy: -171.069216
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -48.659
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: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -539.032286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.032286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.032286 (E_RNA)
where:
Base-Base interactions energy: -367.051
where: short stacking energy: -144.563
Base-Backbone interact. energy: -0.550
local terms energy: -171.430573
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -534.700607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.700607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.700607 (E_RNA)
where:
Base-Base interactions energy: -359.142
where: short stacking energy: -157.180
Base-Backbone interact. energy: -0.593
local terms energy: -174.966116
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -48.688
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -502.038521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.038521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.038521 (E_RNA)
where:
Base-Base interactions energy: -359.498
where: short stacking energy: -149.226
Base-Backbone interact. energy: 1.797
local terms energy: -144.337740
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -43.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -510.298668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.298668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.298668 (E_RNA)
where:
Base-Base interactions energy: -345.717
where: short stacking energy: -140.894
Base-Backbone interact. energy: -0.056
local terms energy: -164.525522
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -401.909970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.909970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.909970 (E_RNA)
where:
Base-Base interactions energy: -255.647
where: short stacking energy: -115.110
Base-Backbone interact. energy: -1.175
local terms energy: -145.087465
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -26.313
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: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -386.269023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.269023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.269023 (E_RNA)
where:
Base-Base interactions energy: -236.879
where: short stacking energy: -116.812
Base-Backbone interact. energy: -0.751
local terms energy: -148.639747
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -27.804
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: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -308.809571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.809571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.809571 (E_RNA)
where:
Base-Base interactions energy: -184.382
where: short stacking energy: -88.864
Base-Backbone interact. energy: -0.615
local terms energy: -123.812587
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -20.954
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -251.662437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.662437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.662437 (E_RNA)
where:
Base-Base interactions energy: -150.974
where: short stacking energy: -73.119
Base-Backbone interact. energy: -0.978
local terms energy: -99.710206
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -4.034
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: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -150.244619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.244619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.244619 (E_RNA)
where:
Base-Base interactions energy: -56.717
where: short stacking energy: -48.317
Base-Backbone interact. energy: -0.068
local terms energy: -93.459430
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -6.341
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: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -556.849428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.849428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.849428 (E_RNA)
where:
Base-Base interactions energy: -372.797
where: short stacking energy: -159.574
Base-Backbone interact. energy: -1.014
local terms energy: -183.038683
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -38.504
flat angles P-C4'-P energy: -30.664
tors. eta vs tors. theta energy: -46.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -525.195492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.195492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.195492 (E_RNA)
where:
Base-Base interactions energy: -361.088
where: short stacking energy: -145.300
Base-Backbone interact. energy: -1.068
local terms energy: -163.039837
where:
bonds (distance) C4'-P energy: -34.348
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -42.553
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: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -527.119311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.119311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.119311 (E_RNA)
where:
Base-Base interactions energy: -355.179
where: short stacking energy: -152.591
Base-Backbone interact. energy: -0.070
local terms energy: -171.870390
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -36.248
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -49.213
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: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -506.292272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.292272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.292272 (E_RNA)
where:
Base-Base interactions energy: -332.193
where: short stacking energy: -139.798
Base-Backbone interact. energy: -0.314
local terms energy: -173.785290
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -45.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -520.062991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.062991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.062991 (E_RNA)
where:
Base-Base interactions energy: -355.857
where: short stacking energy: -144.018
Base-Backbone interact. energy: -0.014
local terms energy: -164.192292
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -49.739
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: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -380.012792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.012792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.012792 (E_RNA)
where:
Base-Base interactions energy: -239.287
where: short stacking energy: -107.145
Base-Backbone interact. energy: 0.479
local terms energy: -141.204318
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -39.163
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -405.645621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.645621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.645621 (E_RNA)
where:
Base-Base interactions energy: -257.095
where: short stacking energy: -113.546
Base-Backbone interact. energy: -0.119
local terms energy: -148.432031
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -33.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -309.690291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.690291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.690291 (E_RNA)
where:
Base-Base interactions energy: -196.274
where: short stacking energy: -89.607
Base-Backbone interact. energy: -1.021
local terms energy: -112.394836
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -13.670
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: 268
Temperature: 1.300000
Total energy: -235.620676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.620676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.620676 (E_RNA)
where:
Base-Base interactions energy: -134.128
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.251
local terms energy: -101.241943
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -163.068907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.068907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.068907 (E_RNA)
where:
Base-Base interactions energy: -56.182
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.140
local terms energy: -106.747476
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -4.611
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: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -555.560012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.560012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.560012 (E_RNA)
where:
Base-Base interactions energy: -377.929
where: short stacking energy: -149.675
Base-Backbone interact. energy: -0.198
local terms energy: -177.432223
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -27.756
tors. eta vs tors. theta energy: -46.942
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: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -529.649162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.649162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.649162 (E_RNA)
where:
Base-Base interactions energy: -363.426
where: short stacking energy: -158.912
Base-Backbone interact. energy: -0.429
local terms energy: -165.794115
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -44.581
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -519.985124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.985124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.985124 (E_RNA)
where:
Base-Base interactions energy: -350.919
where: short stacking energy: -144.763
Base-Backbone interact. energy: -1.567
local terms energy: -167.498619
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -34.154
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -41.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -517.431912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.431912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.431912 (E_RNA)
where:
Base-Base interactions energy: -350.086
where: short stacking energy: -153.807
Base-Backbone interact. energy: -1.865
local terms energy: -165.480958
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -37.460
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: -45.383
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: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -503.991833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.991833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.991833 (E_RNA)
where:
Base-Base interactions energy: -354.866
where: short stacking energy: -144.622
Base-Backbone interact. energy: -0.766
local terms energy: -148.360165
where:
bonds (distance) C4'-P energy: -30.197
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -39.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -408.967510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.967510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.967510 (E_RNA)
where:
Base-Base interactions energy: -264.745
where: short stacking energy: -98.714
Base-Backbone interact. energy: -0.238
local terms energy: -143.985206
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -25.853
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: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -367.109065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.109065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.109065 (E_RNA)
where:
Base-Base interactions energy: -234.714
where: short stacking energy: -102.154
Base-Backbone interact. energy: 2.378
local terms energy: -134.772449
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -16.163
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -331.514477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.514477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.514477 (E_RNA)
where:
Base-Base interactions energy: -195.370
where: short stacking energy: -99.948
Base-Backbone interact. energy: -0.508
local terms energy: -135.636320
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -22.605
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: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -230.418169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.418169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.418169 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.337
local terms energy: -105.972689
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -17.542
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: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -143.906860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.906860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.906860 (E_RNA)
where:
Base-Base interactions energy: -50.920
where: short stacking energy: -48.951
Base-Backbone interact. energy: 1.723
local terms energy: -94.710307
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -16.093
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: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -563.986495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.986495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.986495 (E_RNA)
where:
Base-Base interactions energy: -388.618
where: short stacking energy: -159.041
Base-Backbone interact. energy: -0.323
local terms energy: -175.046055
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -38.416
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -44.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -529.209721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.209721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.209721 (E_RNA)
where:
Base-Base interactions energy: -371.299
where: short stacking energy: -156.822
Base-Backbone interact. energy: 0.262
local terms energy: -158.172399
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -43.105
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -521.027193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.027193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.027193 (E_RNA)
where:
Base-Base interactions energy: -355.952
where: short stacking energy: -157.781
Base-Backbone interact. energy: -0.218
local terms energy: -164.857212
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -45.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -513.541716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.541716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.541716 (E_RNA)
where:
Base-Base interactions energy: -350.539
where: short stacking energy: -149.923
Base-Backbone interact. energy: -0.522
local terms energy: -162.480668
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -28.841
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -46.333
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: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -515.916117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.916117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.916117 (E_RNA)
where:
Base-Base interactions energy: -351.807
where: short stacking energy: -143.110
Base-Backbone interact. energy: -1.917
local terms energy: -162.192228
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -398.161818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.161818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.161818 (E_RNA)
where:
Base-Base interactions energy: -251.695
where: short stacking energy: -116.377
Base-Backbone interact. energy: -0.716
local terms energy: -145.750742
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -36.997
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -27.745
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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -350.090432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.090432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.090432 (E_RNA)
where:
Base-Base interactions energy: -223.229
where: short stacking energy: -99.182
Base-Backbone interact. energy: -1.472
local terms energy: -125.389147
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -347.372831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.372831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.372831 (E_RNA)
where:
Base-Base interactions energy: -224.307
where: short stacking energy: -105.638
Base-Backbone interact. energy: -0.782
local terms energy: -122.283657
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -28.719
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: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -239.140073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.140073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.140073 (E_RNA)
where:
Base-Base interactions energy: -130.728
where: short stacking energy: -67.799
Base-Backbone interact. energy: -0.518
local terms energy: -107.893443
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -13.477
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: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -149.790063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.790063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.790063 (E_RNA)
where:
Base-Base interactions energy: -52.958
where: short stacking energy: -45.173
Base-Backbone interact. energy: 1.478
local terms energy: -98.309912
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -7.966
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: 271
Temperature: 0.900000
Total energy: -572.238969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.238969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.238969 (E_RNA)
where:
Base-Base interactions energy: -390.214
where: short stacking energy: -153.459
Base-Backbone interact. energy: -0.427
local terms energy: -181.598487
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -31.801
tors. eta vs tors. theta energy: -45.132
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: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -534.243482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.243482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.243482 (E_RNA)
where:
Base-Base interactions energy: -362.547
where: short stacking energy: -155.699
Base-Backbone interact. energy: -1.017
local terms energy: -170.679049
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -46.432
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -526.690716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.690716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.690716 (E_RNA)
where:
Base-Base interactions energy: -360.159
where: short stacking energy: -154.648
Base-Backbone interact. energy: -0.047
local terms energy: -166.484716
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -510.698203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.698203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.698203 (E_RNA)
where:
Base-Base interactions energy: -348.596
where: short stacking energy: -140.372
Base-Backbone interact. energy: -0.132
local terms energy: -161.969965
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -38.969
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -43.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -503.311686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.311686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.311686 (E_RNA)
where:
Base-Base interactions energy: -343.459
where: short stacking energy: -159.412
Base-Backbone interact. energy: 0.726
local terms energy: -160.578253
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -45.682
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: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -403.392786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.392786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.392786 (E_RNA)
where:
Base-Base interactions energy: -256.350
where: short stacking energy: -131.258
Base-Backbone interact. energy: -0.151
local terms energy: -146.892108
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -37.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -364.927751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.927751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.927751 (E_RNA)
where:
Base-Base interactions energy: -228.873
where: short stacking energy: -106.280
Base-Backbone interact. energy: 1.538
local terms energy: -137.592798
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -31.289
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: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -338.677253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.677253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.677253 (E_RNA)
where:
Base-Base interactions energy: -226.489
where: short stacking energy: -99.175
Base-Backbone interact. energy: 1.054
local terms energy: -113.241610
where:
bonds (distance) C4'-P energy: -33.094
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -247.175749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.175749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.175749 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.249
local terms energy: -114.841968
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -13.156
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: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -145.915099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.915099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.915099 (E_RNA)
where:
Base-Base interactions energy: -54.767
where: short stacking energy: -42.272
Base-Backbone interact. energy: -0.602
local terms energy: -90.546103
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -5.016
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: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -570.008016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.008016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.008016 (E_RNA)
where:
Base-Base interactions energy: -392.710
where: short stacking energy: -164.720
Base-Backbone interact. energy: -0.739
local terms energy: -176.558949
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -49.742
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: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -545.824742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.824742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.824742 (E_RNA)
where:
Base-Base interactions energy: -367.558
where: short stacking energy: -152.534
Base-Backbone interact. energy: -0.253
local terms energy: -178.013719
where:
bonds (distance) C4'-P energy: -32.797
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -48.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -528.778346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.778346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.778346 (E_RNA)
where:
Base-Base interactions energy: -363.977
where: short stacking energy: -143.036
Base-Backbone interact. energy: -0.238
local terms energy: -164.563077
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -525.894228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.894228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.894228 (E_RNA)
where:
Base-Base interactions energy: -356.613
where: short stacking energy: -157.044
Base-Backbone interact. energy: 1.045
local terms energy: -170.326211
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -49.977
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -508.138129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.138129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.138129 (E_RNA)
where:
Base-Base interactions energy: -344.720
where: short stacking energy: -140.685
Base-Backbone interact. energy: -1.001
local terms energy: -162.417192
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -48.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -384.503132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.503132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.503132 (E_RNA)
where:
Base-Base interactions energy: -240.085
where: short stacking energy: -111.462
Base-Backbone interact. energy: -0.702
local terms energy: -143.716064
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -30.943
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: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -325.387135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.387135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.387135 (E_RNA)
where:
Base-Base interactions energy: -200.732
where: short stacking energy: -86.521
Base-Backbone interact. energy: 0.296
local terms energy: -124.951452
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -34.971
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -20.336
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: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -345.725226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.725226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.725226 (E_RNA)
where:
Base-Base interactions energy: -207.824
where: short stacking energy: -109.816
Base-Backbone interact. energy: -0.792
local terms energy: -137.109296
where:
bonds (distance) C4'-P energy: -30.713
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -250.533511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.533511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.533511 (E_RNA)
where:
Base-Base interactions energy: -139.738
where: short stacking energy: -79.831
Base-Backbone interact. energy: -1.054
local terms energy: -109.741780
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -15.400
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: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -136.470449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.470449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.470449 (E_RNA)
where:
Base-Base interactions energy: -46.764
where: short stacking energy: -40.568
Base-Backbone interact. energy: 0.221
local terms energy: -89.927303
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: 8.571
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: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -564.471905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.471905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.471905 (E_RNA)
where:
Base-Base interactions energy: -381.059
where: short stacking energy: -157.467
Base-Backbone interact. energy: 1.473
local terms energy: -184.885908
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -48.732
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: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -542.184406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.184406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.184406 (E_RNA)
where:
Base-Base interactions energy: -363.029
where: short stacking energy: -156.283
Base-Backbone interact. energy: -0.818
local terms energy: -178.336982
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -38.675
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -46.505
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: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -528.281509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.281509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.281509 (E_RNA)
where:
Base-Base interactions energy: -358.076
where: short stacking energy: -145.637
Base-Backbone interact. energy: -0.174
local terms energy: -170.031327
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -46.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -535.277061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.277061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.277061 (E_RNA)
where:
Base-Base interactions energy: -373.468
where: short stacking energy: -148.464
Base-Backbone interact. energy: -1.012
local terms energy: -160.797244
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -45.680
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -508.541533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.541533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.541533 (E_RNA)
where:
Base-Base interactions energy: -344.385
where: short stacking energy: -146.961
Base-Backbone interact. energy: -0.495
local terms energy: -163.661899
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -49.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -387.979747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.979747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.979747 (E_RNA)
where:
Base-Base interactions energy: -255.433
where: short stacking energy: -107.872
Base-Backbone interact. energy: -0.334
local terms energy: -132.212858
where:
bonds (distance) C4'-P energy: -30.238
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -29.132
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -21.547
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: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -387.256201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.256201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.256201 (E_RNA)
where:
Base-Base interactions energy: -233.787
where: short stacking energy: -129.676
Base-Backbone interact. energy: -0.727
local terms energy: -152.742316
where:
bonds (distance) C4'-P energy: -31.545
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -36.650
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: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -251.109368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.109368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.109368 (E_RNA)
where:
Base-Base interactions energy: -136.621
where: short stacking energy: -81.347
Base-Backbone interact. energy: 0.143
local terms energy: -114.631705
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -12.804
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -262.563471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.563471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.563471 (E_RNA)
where:
Base-Base interactions energy: -151.505
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.298
local terms energy: -110.760874
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -21.860
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: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -158.792541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.792541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.792541 (E_RNA)
where:
Base-Base interactions energy: -55.766
where: short stacking energy: -35.403
Base-Backbone interact. energy: -0.508
local terms energy: -102.518742
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: 7.318
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -557.611952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.611952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.611952 (E_RNA)
where:
Base-Base interactions energy: -382.645
where: short stacking energy: -156.117
Base-Backbone interact. energy: -0.340
local terms energy: -174.627140
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -40.259
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -45.264
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: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -538.427064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.427064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.427064 (E_RNA)
where:
Base-Base interactions energy: -353.652
where: short stacking energy: -149.261
Base-Backbone interact. energy: -0.915
local terms energy: -183.860022
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -51.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -532.726879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.726879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.726879 (E_RNA)
where:
Base-Base interactions energy: -359.010
where: short stacking energy: -146.416
Base-Backbone interact. energy: -0.263
local terms energy: -173.454058
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -49.459
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: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -516.713354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.713354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.713354 (E_RNA)
where:
Base-Base interactions energy: -339.245
where: short stacking energy: -147.560
Base-Backbone interact. energy: -1.131
local terms energy: -176.336999
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -47.361
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: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -505.111426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.111426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.111426 (E_RNA)
where:
Base-Base interactions energy: -353.999
where: short stacking energy: -148.481
Base-Backbone interact. energy: -0.750
local terms energy: -150.361870
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -36.089
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -47.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -401.390827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.390827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.390827 (E_RNA)
where:
Base-Base interactions energy: -257.883
where: short stacking energy: -134.545
Base-Backbone interact. energy: -0.267
local terms energy: -143.240220
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -35.556
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -380.991493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.991493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.991493 (E_RNA)
where:
Base-Base interactions energy: -250.925
where: short stacking energy: -113.973
Base-Backbone interact. energy: -0.118
local terms energy: -129.948720
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -30.962
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: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -249.648664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.648664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.648664 (E_RNA)
where:
Base-Base interactions energy: -144.572
where: short stacking energy: -83.479
Base-Backbone interact. energy: -0.137
local terms energy: -104.939430
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -289.116165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.116165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.116165 (E_RNA)
where:
Base-Base interactions energy: -163.339
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.436
local terms energy: -125.341497
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -38.745
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -15.228
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: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -151.846036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.846036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.846036 (E_RNA)
where:
Base-Base interactions energy: -49.856
where: short stacking energy: -41.270
Base-Backbone interact. energy: -0.320
local terms energy: -101.670010
where:
bonds (distance) C4'-P energy: -28.305
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -555.980772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.980772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.980772 (E_RNA)
where:
Base-Base interactions energy: -372.590
where: short stacking energy: -158.484
Base-Backbone interact. energy: -1.122
local terms energy: -182.269418
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -48.813
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -525.395002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.395002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.395002 (E_RNA)
where:
Base-Base interactions energy: -357.563
where: short stacking energy: -156.072
Base-Backbone interact. energy: 0.821
local terms energy: -168.653616
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -46.192
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: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -521.249042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.249042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.249042 (E_RNA)
where:
Base-Base interactions energy: -354.603
where: short stacking energy: -153.129
Base-Backbone interact. energy: -0.026
local terms energy: -166.620121
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -45.169
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: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -518.366833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.366833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.366833 (E_RNA)
where:
Base-Base interactions energy: -355.650
where: short stacking energy: -148.579
Base-Backbone interact. energy: -0.153
local terms energy: -162.563448
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -506.255364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.255364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.255364 (E_RNA)
where:
Base-Base interactions energy: -334.284
where: short stacking energy: -144.959
Base-Backbone interact. energy: -0.308
local terms energy: -171.662796
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -48.631
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: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -411.797869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.797869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.797869 (E_RNA)
where:
Base-Base interactions energy: -268.270
where: short stacking energy: -122.070
Base-Backbone interact. energy: 0.995
local terms energy: -144.523375
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -18.453
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -354.272227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.272227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.272227 (E_RNA)
where:
Base-Base interactions energy: -222.229
where: short stacking energy: -99.408
Base-Backbone interact. energy: 1.186
local terms energy: -133.228758
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -28.025
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: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -273.187103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.187103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.187103 (E_RNA)
where:
Base-Base interactions energy: -151.596
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.981
local terms energy: -120.610599
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -19.416
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: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -236.283830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.283830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.283830 (E_RNA)
where:
Base-Base interactions energy: -143.570
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.724
local terms energy: -91.990365
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -7.339
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: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -133.321469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.321469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.321469 (E_RNA)
where:
Base-Base interactions energy: -45.390
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.205
local terms energy: -87.726433
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -17.083
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: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -554.918956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.918956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.918956 (E_RNA)
where:
Base-Base interactions energy: -375.890
where: short stacking energy: -170.671
Base-Backbone interact. energy: -0.128
local terms energy: -178.900854
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -35.391
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -29.192
tors. eta vs tors. theta energy: -50.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -534.564346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.564346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.564346 (E_RNA)
where:
Base-Base interactions energy: -365.346
where: short stacking energy: -156.348
Base-Backbone interact. energy: -0.800
local terms energy: -168.418014
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -44.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -522.269651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.269651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.269651 (E_RNA)
where:
Base-Base interactions energy: -353.068
where: short stacking energy: -153.965
Base-Backbone interact. energy: -0.224
local terms energy: -168.977259
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -23.199
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: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -512.510163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.510163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.510163 (E_RNA)
where:
Base-Base interactions energy: -346.439
where: short stacking energy: -143.754
Base-Backbone interact. energy: -0.696
local terms energy: -165.375326
where:
bonds (distance) C4'-P energy: -36.029
bonds (distance) P-C4' energy: -30.487
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -41.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -505.000441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.000441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.000441 (E_RNA)
where:
Base-Base interactions energy: -335.666
where: short stacking energy: -143.534
Base-Backbone interact. energy: -0.711
local terms energy: -168.623867
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -39.519
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -46.637
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -434.729064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.729064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.729064 (E_RNA)
where:
Base-Base interactions energy: -302.391
where: short stacking energy: -136.673
Base-Backbone interact. energy: -1.018
local terms energy: -131.320309
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -34.780
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -335.974759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.974759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.974759 (E_RNA)
where:
Base-Base interactions energy: -219.334
where: short stacking energy: -97.284
Base-Backbone interact. energy: -0.231
local terms energy: -116.409755
where:
bonds (distance) C4'-P energy: -29.032
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -14.872
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: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -305.748924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.748924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.748924 (E_RNA)
where:
Base-Base interactions energy: -186.249
where: short stacking energy: -83.972
Base-Backbone interact. energy: -1.210
local terms energy: -118.290042
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -17.884
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: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -226.510136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.510136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.510136 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.729
local terms energy: -106.076173
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -131.935735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.935735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.935735 (E_RNA)
where:
Base-Base interactions energy: -47.281
where: short stacking energy: -31.992
Base-Backbone interact. energy: -0.746
local terms energy: -83.908141
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -573.421899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.421899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.421899 (E_RNA)
where:
Base-Base interactions energy: -388.904
where: short stacking energy: -161.257
Base-Backbone interact. energy: -0.325
local terms energy: -184.192308
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -48.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -541.270122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.270122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.270122 (E_RNA)
where:
Base-Base interactions energy: -362.213
where: short stacking energy: -161.796
Base-Backbone interact. energy: -1.981
local terms energy: -177.075822
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -36.337
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -48.961
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: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -529.055587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.055587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.055587 (E_RNA)
where:
Base-Base interactions energy: -369.199
where: short stacking energy: -145.832
Base-Backbone interact. energy: -0.849
local terms energy: -159.007632
where:
bonds (distance) C4'-P energy: -34.616
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -33.735
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -40.614
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: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -510.115784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.115784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.115784 (E_RNA)
where:
Base-Base interactions energy: -352.320
where: short stacking energy: -148.402
Base-Backbone interact. energy: -2.589
local terms energy: -155.207456
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -42.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -505.678519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.678519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.678519 (E_RNA)
where:
Base-Base interactions energy: -331.938
where: short stacking energy: -145.280
Base-Backbone interact. energy: -0.382
local terms energy: -173.358205
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -44.954
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: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -433.284502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.284502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.284502 (E_RNA)
where:
Base-Base interactions energy: -287.833
where: short stacking energy: -129.781
Base-Backbone interact. energy: 0.076
local terms energy: -145.527058
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -39.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -354.696477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.696477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.696477 (E_RNA)
where:
Base-Base interactions energy: -224.190
where: short stacking energy: -105.716
Base-Backbone interact. energy: -0.879
local terms energy: -129.627776
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -21.707
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: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -307.840086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.840086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.840086 (E_RNA)
where:
Base-Base interactions energy: -193.779
where: short stacking energy: -83.571
Base-Backbone interact. energy: 1.484
local terms energy: -115.545982
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -11.727
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: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -233.618209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.618209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.618209 (E_RNA)
where:
Base-Base interactions energy: -130.541
where: short stacking energy: -77.765
Base-Backbone interact. energy: 0.959
local terms energy: -104.035875
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -10.129
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: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -161.016145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.016145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.016145 (E_RNA)
where:
Base-Base interactions energy: -53.807
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.324
local terms energy: -106.884820
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -9.133
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: 278
Temperature: 0.900000
Total energy: -564.393118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.393118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.393118 (E_RNA)
where:
Base-Base interactions energy: -379.644
where: short stacking energy: -169.042
Base-Backbone interact. energy: -0.951
local terms energy: -183.797833
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -38.046
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -51.056
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: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -530.505658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.505658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.505658 (E_RNA)
where:
Base-Base interactions energy: -357.975
where: short stacking energy: -162.824
Base-Backbone interact. energy: -0.287
local terms energy: -172.243347
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -46.552
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: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -510.866672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.866672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.866672 (E_RNA)
where:
Base-Base interactions energy: -349.018
where: short stacking energy: -156.375
Base-Backbone interact. energy: -0.150
local terms energy: -161.699442
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -30.688
flat angles C4'-P-C4' energy: -34.444
flat angles P-C4'-P energy: -20.968
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: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -523.848920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.848920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.848920 (E_RNA)
where:
Base-Base interactions energy: -370.700
where: short stacking energy: -148.325
Base-Backbone interact. energy: 0.215
local terms energy: -153.363045
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -44.866
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: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -521.526847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.526847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.526847 (E_RNA)
where:
Base-Base interactions energy: -372.375
where: short stacking energy: -145.675
Base-Backbone interact. energy: -0.689
local terms energy: -148.463279
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -48.062
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: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -447.413731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.413731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.413731 (E_RNA)
where:
Base-Base interactions energy: -291.470
where: short stacking energy: -119.205
Base-Backbone interact. energy: 0.050
local terms energy: -155.994102
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -32.992
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -40.696
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: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -329.235259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.235259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.235259 (E_RNA)
where:
Base-Base interactions energy: -207.132
where: short stacking energy: -74.648
Base-Backbone interact. energy: 3.398
local terms energy: -125.501277
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -17.679
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: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -312.941295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.941295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.941295 (E_RNA)
where:
Base-Base interactions energy: -200.594
where: short stacking energy: -88.056
Base-Backbone interact. energy: 0.678
local terms energy: -113.025676
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -12.716
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: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -157.017283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.017283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.017283 (E_RNA)
where:
Base-Base interactions energy: -49.424
where: short stacking energy: -49.311
Base-Backbone interact. energy: -0.647
local terms energy: -106.945785
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -231.811894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.811894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.811894 (E_RNA)
where:
Base-Base interactions energy: -127.690
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.654
local terms energy: -103.467888
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -16.914
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -554.882051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.882051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.882051 (E_RNA)
where:
Base-Base interactions energy: -390.906
where: short stacking energy: -165.553
Base-Backbone interact. energy: -0.123
local terms energy: -163.852851
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -47.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -541.916784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.916784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.916784 (E_RNA)
where:
Base-Base interactions energy: -364.894
where: short stacking energy: -160.242
Base-Backbone interact. energy: -0.018
local terms energy: -177.004490
where:
bonds (distance) C4'-P energy: -34.356
bonds (distance) P-C4' energy: -32.949
flat angles C4'-P-C4' energy: -37.360
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -47.949
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -518.978738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.978738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.978738 (E_RNA)
where:
Base-Base interactions energy: -353.623
where: short stacking energy: -154.305
Base-Backbone interact. energy: -0.279
local terms energy: -165.076526
where:
bonds (distance) C4'-P energy: -27.058
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -46.906
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: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -532.030881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.030881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.030881 (E_RNA)
where:
Base-Base interactions energy: -367.387
where: short stacking energy: -159.456
Base-Backbone interact. energy: 0.761
local terms energy: -165.405286
where:
bonds (distance) C4'-P energy: -25.253
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -24.244
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: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -513.935215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.935215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.935215 (E_RNA)
where:
Base-Base interactions energy: -344.739
where: short stacking energy: -149.892
Base-Backbone interact. energy: -0.167
local terms energy: -169.029081
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -49.068
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: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -464.233994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.233994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.233994 (E_RNA)
where:
Base-Base interactions energy: -312.099
where: short stacking energy: -133.531
Base-Backbone interact. energy: -0.648
local terms energy: -151.486536
where:
bonds (distance) C4'-P energy: -33.390
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -42.812
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: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -328.927688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.927688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.927688 (E_RNA)
where:
Base-Base interactions energy: -197.358
where: short stacking energy: -92.502
Base-Backbone interact. energy: -1.144
local terms energy: -130.426172
where:
bonds (distance) C4'-P energy: -29.516
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -318.186033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.186033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.186033 (E_RNA)
where:
Base-Base interactions energy: -187.950
where: short stacking energy: -95.990
Base-Backbone interact. energy: 0.783
local terms energy: -131.018596
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -25.004
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: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -180.208802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.208802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.208802 (E_RNA)
where:
Base-Base interactions energy: -71.691
where: short stacking energy: -69.148
Base-Backbone interact. energy: -0.176
local terms energy: -108.342021
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -10.930
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: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -205.505070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.505070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.505070 (E_RNA)
where:
Base-Base interactions energy: -96.880
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.724
local terms energy: -107.901875
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -562.374052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.374052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.374052 (E_RNA)
where:
Base-Base interactions energy: -378.924
where: short stacking energy: -159.390
Base-Backbone interact. energy: -0.736
local terms energy: -182.714098
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -50.281
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: 280
Temperature: 0.950000
Total energy: -554.094462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.094462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.094462 (E_RNA)
where:
Base-Base interactions energy: -387.015
where: short stacking energy: -153.262
Base-Backbone interact. energy: 0.271
local terms energy: -167.350714
where:
bonds (distance) C4'-P energy: -33.413
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -48.091
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: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -536.213675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.213675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.213675 (E_RNA)
where:
Base-Base interactions energy: -363.488
where: short stacking energy: -159.555
Base-Backbone interact. energy: 2.149
local terms energy: -174.874461
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -48.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -505.737151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.737151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.737151 (E_RNA)
where:
Base-Base interactions energy: -348.914
where: short stacking energy: -152.359
Base-Backbone interact. energy: 0.254
local terms energy: -157.077269
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -44.033
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: 280
Temperature: 1.100000
Total energy: -514.843111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.843111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.843111 (E_RNA)
where:
Base-Base interactions energy: -355.927
where: short stacking energy: -155.610
Base-Backbone interact. energy: 1.106
local terms energy: -160.021492
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -48.040
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: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -464.218677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.218677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.218677 (E_RNA)
where:
Base-Base interactions energy: -308.939
where: short stacking energy: -139.611
Base-Backbone interact. energy: 0.819
local terms energy: -156.099229
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -41.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -341.647771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.647771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.647771 (E_RNA)
where:
Base-Base interactions energy: -213.798
where: short stacking energy: -93.919
Base-Backbone interact. energy: -1.239
local terms energy: -126.610305
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -23.003
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -293.333940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.333940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.333940 (E_RNA)
where:
Base-Base interactions energy: -168.746
where: short stacking energy: -75.322
Base-Backbone interact. energy: -0.505
local terms energy: -124.083050
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -11.545
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -241.627596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.627596 (E_RNA)
where:
Base-Base interactions energy: -127.493
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.366
local terms energy: -113.767756
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -11.165
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: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -134.305302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.305302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.305302 (E_RNA)
where:
Base-Base interactions energy: -38.696
where: short stacking energy: -28.998
Base-Backbone interact. energy: 5.094
local terms energy: -100.703623
where:
bonds (distance) C4'-P energy: -33.161
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: 11.392
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: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -551.410122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.410122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.410122 (E_RNA)
where:
Base-Base interactions energy: -379.387
where: short stacking energy: -167.236
Base-Backbone interact. energy: 0.153
local terms energy: -172.176292
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -37.469
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -51.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -532.099463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.099463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.099463 (E_RNA)
where:
Base-Base interactions energy: -359.272
where: short stacking energy: -156.038
Base-Backbone interact. energy: -0.084
local terms energy: -172.743551
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -25.554
tors. eta vs tors. theta energy: -52.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -529.354340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.354340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.354340 (E_RNA)
where:
Base-Base interactions energy: -355.761
where: short stacking energy: -152.560
Base-Backbone interact. energy: -0.339
local terms energy: -173.253920
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -26.657
tors. eta vs tors. theta energy: -46.033
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: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -512.903758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.903758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.903758 (E_RNA)
where:
Base-Base interactions energy: -349.077
where: short stacking energy: -153.390
Base-Backbone interact. energy: -0.054
local terms energy: -163.772726
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -35.942
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -49.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -500.399108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.399108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.399108 (E_RNA)
where:
Base-Base interactions energy: -341.960
where: short stacking energy: -146.089
Base-Backbone interact. energy: -0.417
local terms energy: -158.022278
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -431.423090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.423090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.423090 (E_RNA)
where:
Base-Base interactions energy: -280.997
where: short stacking energy: -121.573
Base-Backbone interact. energy: -0.436
local terms energy: -149.989405
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -37.002
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: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -360.186413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.186413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.186413 (E_RNA)
where:
Base-Base interactions energy: -218.160
where: short stacking energy: -106.575
Base-Backbone interact. energy: -0.132
local terms energy: -141.894770
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -31.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -302.557626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.557626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.557626 (E_RNA)
where:
Base-Base interactions energy: -187.005
where: short stacking energy: -74.975
Base-Backbone interact. energy: -1.020
local terms energy: -114.532230
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -12.166
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: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -230.069807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.069807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.069807 (E_RNA)
where:
Base-Base interactions energy: -126.657
where: short stacking energy: -59.225
Base-Backbone interact. energy: 0.241
local terms energy: -103.654057
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -7.154
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: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -166.749261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.749261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.749261 (E_RNA)
where:
Base-Base interactions energy: -62.054
where: short stacking energy: -49.454
Base-Backbone interact. energy: -0.424
local terms energy: -104.270979
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -4.324
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: 282
Temperature: 0.900000
Total energy: -556.326592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.326592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.326592 (E_RNA)
where:
Base-Base interactions energy: -382.930
where: short stacking energy: -160.801
Base-Backbone interact. energy: -0.829
local terms energy: -172.567314
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -36.513
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -52.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -544.477746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.477746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.477746 (E_RNA)
where:
Base-Base interactions energy: -371.291
where: short stacking energy: -148.265
Base-Backbone interact. energy: -0.910
local terms energy: -172.277481
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -38.014
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -44.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -529.536198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.536198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.536198 (E_RNA)
where:
Base-Base interactions energy: -360.297
where: short stacking energy: -164.825
Base-Backbone interact. energy: -0.277
local terms energy: -168.962202
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -512.857417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.857417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.857417 (E_RNA)
where:
Base-Base interactions energy: -348.346
where: short stacking energy: -151.648
Base-Backbone interact. energy: -0.193
local terms energy: -164.318018
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -40.005
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -500.686359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.686359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.686359 (E_RNA)
where:
Base-Base interactions energy: -341.605
where: short stacking energy: -148.803
Base-Backbone interact. energy: -0.797
local terms energy: -158.283914
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -44.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -416.260020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.260020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.260020 (E_RNA)
where:
Base-Base interactions energy: -278.991
where: short stacking energy: -123.124
Base-Backbone interact. energy: -0.044
local terms energy: -137.225003
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -37.013
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: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -336.744494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.744494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.744494 (E_RNA)
where:
Base-Base interactions energy: -209.702
where: short stacking energy: -89.362
Base-Backbone interact. energy: 2.234
local terms energy: -129.275822
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -28.189
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -288.968000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.968000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.968000 (E_RNA)
where:
Base-Base interactions energy: -162.303
where: short stacking energy: -82.812
Base-Backbone interact. energy: -0.150
local terms energy: -126.514461
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -20.493
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: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -243.662209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.662209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.662209 (E_RNA)
where:
Base-Base interactions energy: -128.548
where: short stacking energy: -72.040
Base-Backbone interact. energy: -1.336
local terms energy: -113.778537
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -34.455
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -11.222
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: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -146.641479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641479 (E_RNA)
where:
Base-Base interactions energy: -59.571
where: short stacking energy: -55.168
Base-Backbone interact. energy: 5.290
local terms energy: -92.360565
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -2.760
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: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -548.728486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.728486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.728486 (E_RNA)
where:
Base-Base interactions energy: -367.307
where: short stacking energy: -150.717
Base-Backbone interact. energy: -0.446
local terms energy: -180.975250
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -35.869
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -49.285
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: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -558.537148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.537148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.537148 (E_RNA)
where:
Base-Base interactions energy: -387.839
where: short stacking energy: -157.132
Base-Backbone interact. energy: -1.403
local terms energy: -169.295495
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -47.164
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: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -535.816209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.816209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.816209 (E_RNA)
where:
Base-Base interactions energy: -367.792
where: short stacking energy: -155.856
Base-Backbone interact. energy: -0.073
local terms energy: -167.951033
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -489.127008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.127008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.127008 (E_RNA)
where:
Base-Base interactions energy: -326.614
where: short stacking energy: -135.931
Base-Backbone interact. energy: -0.579
local terms energy: -161.933879
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -37.329
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -39.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -504.063433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.063433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.063433 (E_RNA)
where:
Base-Base interactions energy: -345.925
where: short stacking energy: -146.892
Base-Backbone interact. energy: -0.164
local terms energy: -157.974477
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -47.477
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: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -386.500836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.500836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.500836 (E_RNA)
where:
Base-Base interactions energy: -248.098
where: short stacking energy: -123.113
Base-Backbone interact. energy: 0.687
local terms energy: -139.090028
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -32.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -350.233579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.233579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.233579 (E_RNA)
where:
Base-Base interactions energy: -214.488
where: short stacking energy: -101.079
Base-Backbone interact. energy: -1.235
local terms energy: -134.510239
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -298.993142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.993142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.993142 (E_RNA)
where:
Base-Base interactions energy: -170.394
where: short stacking energy: -77.707
Base-Backbone interact. energy: -0.302
local terms energy: -128.297159
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -17.950
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: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -259.653483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.653483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.653483 (E_RNA)
where:
Base-Base interactions energy: -131.271
where: short stacking energy: -67.736
Base-Backbone interact. energy: -0.452
local terms energy: -127.930395
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -13.668
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: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -155.369256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.369256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.369256 (E_RNA)
where:
Base-Base interactions energy: -58.185
where: short stacking energy: -43.463
Base-Backbone interact. energy: -0.585
local terms energy: -96.599478
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -22.391
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: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -565.589818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.589818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.589818 (E_RNA)
where:
Base-Base interactions energy: -382.147
where: short stacking energy: -167.234
Base-Backbone interact. energy: -0.280
local terms energy: -183.162838
where:
bonds (distance) C4'-P energy: -38.393
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -47.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -532.807344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.807344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.807344 (E_RNA)
where:
Base-Base interactions energy: -372.705
where: short stacking energy: -144.458
Base-Backbone interact. energy: -0.500
local terms energy: -159.602757
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -45.193
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -519.484359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.484359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.484359 (E_RNA)
where:
Base-Base interactions energy: -362.879
where: short stacking energy: -145.876
Base-Backbone interact. energy: -0.576
local terms energy: -156.029594
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -42.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -510.146021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.146021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.146021 (E_RNA)
where:
Base-Base interactions energy: -362.431
where: short stacking energy: -152.823
Base-Backbone interact. energy: 1.917
local terms energy: -149.632037
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -49.975
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: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -494.156678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.156678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.156678 (E_RNA)
where:
Base-Base interactions energy: -335.029
where: short stacking energy: -151.607
Base-Backbone interact. energy: -0.080
local terms energy: -159.048137
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -46.503
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: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -393.091960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.091960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.091960 (E_RNA)
where:
Base-Base interactions energy: -252.480
where: short stacking energy: -111.813
Base-Backbone interact. energy: 0.022
local terms energy: -140.633963
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -27.754
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: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -357.640356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.640356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.640356 (E_RNA)
where:
Base-Base interactions energy: -235.323
where: short stacking energy: -101.136
Base-Backbone interact. energy: 1.917
local terms energy: -124.234141
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -25.011
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: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -305.490331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.490331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.490331 (E_RNA)
where:
Base-Base interactions energy: -191.100
where: short stacking energy: -86.943
Base-Backbone interact. energy: -0.400
local terms energy: -113.990900
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -23.411
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: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -253.104265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.104265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.104265 (E_RNA)
where:
Base-Base interactions energy: -139.536
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.084
local terms energy: -113.484080
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -36.456
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -12.177
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: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -198.784788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.784788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.784788 (E_RNA)
where:
Base-Base interactions energy: -104.425
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.873
local terms energy: -93.487231
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -16.830
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: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -546.679796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.679796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.679796 (E_RNA)
where:
Base-Base interactions energy: -366.170
where: short stacking energy: -159.821
Base-Backbone interact. energy: -0.009
local terms energy: -180.501022
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -36.981
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -47.367
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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -542.270677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.270677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.270677 (E_RNA)
where:
Base-Base interactions energy: -372.721
where: short stacking energy: -156.871
Base-Backbone interact. energy: -0.166
local terms energy: -169.382908
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -33.316
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -506.040246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.040246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.040246 (E_RNA)
where:
Base-Base interactions energy: -358.927
where: short stacking energy: -146.193
Base-Backbone interact. energy: -0.386
local terms energy: -146.727784
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -34.486
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -40.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -529.342662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.342662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.342662 (E_RNA)
where:
Base-Base interactions energy: -366.684
where: short stacking energy: -151.983
Base-Backbone interact. energy: -0.467
local terms energy: -162.191573
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -37.023
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -42.345
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: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -507.199345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.199345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.199345 (E_RNA)
where:
Base-Base interactions energy: -335.230
where: short stacking energy: -141.443
Base-Backbone interact. energy: -0.038
local terms energy: -171.931487
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: -43.392
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: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -391.374478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.374478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.374478 (E_RNA)
where:
Base-Base interactions energy: -247.140
where: short stacking energy: -109.831
Base-Backbone interact. energy: 0.685
local terms energy: -144.920383
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -32.678
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: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -377.838789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.838789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.838789 (E_RNA)
where:
Base-Base interactions energy: -250.554
where: short stacking energy: -98.072
Base-Backbone interact. energy: 0.485
local terms energy: -127.769204
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -323.602518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.602518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.602518 (E_RNA)
where:
Base-Base interactions energy: -196.961
where: short stacking energy: -100.429
Base-Backbone interact. energy: 0.600
local terms energy: -127.241604
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -25.533
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: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -242.156311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.156311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.156311 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -67.072
Base-Backbone interact. energy: 0.432
local terms energy: -102.157997
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -23.590
tors. eta vs tors. theta energy: -3.827
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: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -165.523093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.523093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.523093 (E_RNA)
where:
Base-Base interactions energy: -84.027
where: short stacking energy: -42.953
Base-Backbone interact. energy: -0.885
local terms energy: -80.611072
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: 3.499
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: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -556.383350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.383350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.383350 (E_RNA)
where:
Base-Base interactions energy: -375.593
where: short stacking energy: -168.342
Base-Backbone interact. energy: -1.011
local terms energy: -179.779500
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -50.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -533.362612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.362612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.362612 (E_RNA)
where:
Base-Base interactions energy: -357.561
where: short stacking energy: -146.352
Base-Backbone interact. energy: -0.333
local terms energy: -175.468380
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -43.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -548.572079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.572079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.572079 (E_RNA)
where:
Base-Base interactions energy: -383.685
where: short stacking energy: -148.084
Base-Backbone interact. energy: -0.315
local terms energy: -164.572403
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -33.876
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -46.041
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: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -526.698381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.698381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.698381 (E_RNA)
where:
Base-Base interactions energy: -365.183
where: short stacking energy: -156.347
Base-Backbone interact. energy: -0.318
local terms energy: -161.197538
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -45.469
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: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -496.342786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.342786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.342786 (E_RNA)
where:
Base-Base interactions energy: -335.465
where: short stacking energy: -131.213
Base-Backbone interact. energy: -0.248
local terms energy: -160.629814
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -44.211
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: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -397.842388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.842388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.842388 (E_RNA)
where:
Base-Base interactions energy: -241.531
where: short stacking energy: -118.151
Base-Backbone interact. energy: -0.456
local terms energy: -155.855025
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -33.158
flat angles P-C4'-P energy: -26.989
tors. eta vs tors. theta energy: -39.301
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: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -343.329073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.329073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.329073 (E_RNA)
where:
Base-Base interactions energy: -230.750
where: short stacking energy: -99.755
Base-Backbone interact. energy: 2.366
local terms energy: -114.945749
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -31.309
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: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -350.141642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.141642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.141642 (E_RNA)
where:
Base-Base interactions energy: -230.873
where: short stacking energy: -103.124
Base-Backbone interact. energy: 0.167
local terms energy: -119.435755
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -20.605
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -148.719069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.719069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.719069 (E_RNA)
where:
Base-Base interactions energy: -51.290
where: short stacking energy: -34.663
Base-Backbone interact. energy: 0.144
local terms energy: -97.572380
where:
bonds (distance) C4'-P energy: -31.568
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: 6.169
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: 286
Temperature: 1.350000
Total energy: -213.291384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.291384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.291384 (E_RNA)
where:
Base-Base interactions energy: -107.670
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.720
local terms energy: -104.900647
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -17.288
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: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -572.182152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.182152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.182152 (E_RNA)
where:
Base-Base interactions energy: -392.765
where: short stacking energy: -164.840
Base-Backbone interact. energy: -0.210
local terms energy: -179.207048
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -53.332
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: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -563.923343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.923343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.923343 (E_RNA)
where:
Base-Base interactions energy: -388.400
where: short stacking energy: -163.412
Base-Backbone interact. energy: -0.401
local terms energy: -175.122845
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -50.842
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: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -537.678746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.678746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.678746 (E_RNA)
where:
Base-Base interactions energy: -360.181
where: short stacking energy: -168.363
Base-Backbone interact. energy: -0.967
local terms energy: -176.531009
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -50.202
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -507.552654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.552654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.552654 (E_RNA)
where:
Base-Base interactions energy: -336.280
where: short stacking energy: -143.942
Base-Backbone interact. energy: -0.019
local terms energy: -171.254076
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -39.096
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -43.464
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: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -497.674771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.674771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.674771 (E_RNA)
where:
Base-Base interactions energy: -336.677
where: short stacking energy: -144.005
Base-Backbone interact. energy: -1.001
local terms energy: -159.997041
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -38.018
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: 287
Temperature: 1.150000
Total energy: -368.965235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.965235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.965235 (E_RNA)
where:
Base-Base interactions energy: -231.061
where: short stacking energy: -116.504
Base-Backbone interact. energy: -0.501
local terms energy: -137.403058
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -30.478
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: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -397.584021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.584021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.584021 (E_RNA)
where:
Base-Base interactions energy: -279.522
where: short stacking energy: -122.117
Base-Backbone interact. energy: -0.647
local terms energy: -117.415346
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -31.261
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: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -308.618959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.618959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.618959 (E_RNA)
where:
Base-Base interactions energy: -187.432
where: short stacking energy: -99.256
Base-Backbone interact. energy: -0.247
local terms energy: -120.940380
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -24.674
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: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -164.229922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.229922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.229922 (E_RNA)
where:
Base-Base interactions energy: -52.056
where: short stacking energy: -49.313
Base-Backbone interact. energy: -0.304
local terms energy: -111.869797
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -227.498720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.498720 (E_RNA)
where:
Base-Base interactions energy: -125.659
where: short stacking energy: -64.447
Base-Backbone interact. energy: 0.677
local terms energy: -102.516675
where:
bonds (distance) C4'-P energy: -30.371
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -10.680
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: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -560.304091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.304091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.304091 (E_RNA)
where:
Base-Base interactions energy: -392.027
where: short stacking energy: -175.654
Base-Backbone interact. energy: -0.233
local terms energy: -168.044698
where:
bonds (distance) C4'-P energy: -28.499
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -50.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -557.128697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.128697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.128697 (E_RNA)
where:
Base-Base interactions energy: -382.736
where: short stacking energy: -151.676
Base-Backbone interact. energy: -0.129
local terms energy: -174.263866
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -27.615
tors. eta vs tors. theta energy: -43.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -529.344047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.344047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.344047 (E_RNA)
where:
Base-Base interactions energy: -351.394
where: short stacking energy: -154.600
Base-Backbone interact. energy: 0.275
local terms energy: -178.225464
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -24.677
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: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -514.602783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.602783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.602783 (E_RNA)
where:
Base-Base interactions energy: -357.638
where: short stacking energy: -157.118
Base-Backbone interact. energy: 1.558
local terms energy: -158.522862
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -46.476
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: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -499.676321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.676321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.676321 (E_RNA)
where:
Base-Base interactions energy: -342.901
where: short stacking energy: -142.204
Base-Backbone interact. energy: -0.256
local terms energy: -156.520056
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -373.244310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.244310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.244310 (E_RNA)
where:
Base-Base interactions energy: -241.577
where: short stacking energy: -113.280
Base-Backbone interact. energy: 0.055
local terms energy: -131.722149
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -29.136
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: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -389.907314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.907314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.907314 (E_RNA)
where:
Base-Base interactions energy: -253.535
where: short stacking energy: -108.401
Base-Backbone interact. energy: -0.131
local terms energy: -136.241027
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -34.929
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -29.610
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: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -294.709769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.709769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.709769 (E_RNA)
where:
Base-Base interactions energy: -168.364
where: short stacking energy: -85.680
Base-Backbone interact. energy: -0.444
local terms energy: -125.901839
where:
bonds (distance) C4'-P energy: -32.080
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -19.347
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: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -236.277695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.277695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.277695 (E_RNA)
where:
Base-Base interactions energy: -120.859
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.957
local terms energy: -114.460848
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -139.746370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.746370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.746370 (E_RNA)
where:
Base-Base interactions energy: -52.872
where: short stacking energy: -48.042
Base-Backbone interact. energy: -1.166
local terms energy: -85.707921
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -553.568210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.568210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.568210 (E_RNA)
where:
Base-Base interactions energy: -380.033
where: short stacking energy: -153.105
Base-Backbone interact. energy: -2.012
local terms energy: -171.522507
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -46.688
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: 289
Temperature: 0.950000
Total energy: -541.698947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.698947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.698947 (E_RNA)
where:
Base-Base interactions energy: -370.603
where: short stacking energy: -159.943
Base-Backbone interact. energy: -0.067
local terms energy: -171.029311
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -38.780
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -49.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -538.772579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.772579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.772579 (E_RNA)
where:
Base-Base interactions energy: -362.377
where: short stacking energy: -157.862
Base-Backbone interact. energy: -0.339
local terms energy: -176.056458
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -47.464
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: 289
Temperature: 1.050000
Total energy: -516.895772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.895772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.895772 (E_RNA)
where:
Base-Base interactions energy: -356.085
where: short stacking energy: -153.696
Base-Backbone interact. energy: -0.261
local terms energy: -160.549729
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -46.425
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -521.492084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.492084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.492084 (E_RNA)
where:
Base-Base interactions energy: -346.668
where: short stacking energy: -151.898
Base-Backbone interact. energy: -0.171
local terms energy: -174.653243
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -48.407
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: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -424.002310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.002310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.002310 (E_RNA)
where:
Base-Base interactions energy: -274.170
where: short stacking energy: -132.043
Base-Backbone interact. energy: -0.237
local terms energy: -149.595398
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -40.422
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -327.062378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.062378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.062378 (E_RNA)
where:
Base-Base interactions energy: -205.358
where: short stacking energy: -86.244
Base-Backbone interact. energy: -0.140
local terms energy: -121.564073
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -28.231
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -15.640
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: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -249.229479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.229479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.229479 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -80.621
Base-Backbone interact. energy: 0.375
local terms energy: -116.846190
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -15.492
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: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -303.044179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.044179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.044179 (E_RNA)
where:
Base-Base interactions energy: -194.778
where: short stacking energy: -95.643
Base-Backbone interact. energy: -0.444
local terms energy: -107.822114
where:
bonds (distance) C4'-P energy: -24.890
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -27.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -144.128522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.128522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.128522 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.792
local terms energy: -91.914240
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: 2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -561.959604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.959604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.959604 (E_RNA)
where:
Base-Base interactions energy: -372.817
where: short stacking energy: -166.403
Base-Backbone interact. energy: -1.060
local terms energy: -188.082327
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -51.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -542.266826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.266826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.266826 (E_RNA)
where:
Base-Base interactions energy: -378.789
where: short stacking energy: -161.752
Base-Backbone interact. energy: -0.297
local terms energy: -163.181204
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -48.300
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: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -536.600692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.600692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.600692 (E_RNA)
where:
Base-Base interactions energy: -364.336
where: short stacking energy: -162.901
Base-Backbone interact. energy: -0.359
local terms energy: -171.906125
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -24.585
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: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -508.138588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.138588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.138588 (E_RNA)
where:
Base-Base interactions energy: -346.842
where: short stacking energy: -143.167
Base-Backbone interact. energy: 2.448
local terms energy: -163.744153
where:
bonds (distance) C4'-P energy: -28.318
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -26.388
tors. eta vs tors. theta energy: -45.171
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: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -499.016715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.016715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.016715 (E_RNA)
where:
Base-Base interactions energy: -332.260
where: short stacking energy: -149.235
Base-Backbone interact. energy: -0.230
local terms energy: -166.526022
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -41.608
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: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -411.348177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.348177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.348177 (E_RNA)
where:
Base-Base interactions energy: -280.796
where: short stacking energy: -134.527
Base-Backbone interact. energy: -0.083
local terms energy: -130.469897
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -27.382
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -31.738
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: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -313.211178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.211178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.211178 (E_RNA)
where:
Base-Base interactions energy: -182.745
where: short stacking energy: -90.366
Base-Backbone interact. energy: -0.097
local terms energy: -130.368750
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -30.189
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: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -256.299514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.299514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.299514 (E_RNA)
where:
Base-Base interactions energy: -137.398
where: short stacking energy: -64.702
Base-Backbone interact. energy: 1.120
local terms energy: -120.021447
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -15.268
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: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -295.478133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.478133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.478133 (E_RNA)
where:
Base-Base interactions energy: -183.111
where: short stacking energy: -84.486
Base-Backbone interact. energy: -0.145
local terms energy: -112.222222
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -17.417
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: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -139.363727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.363727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.363727 (E_RNA)
where:
Base-Base interactions energy: -49.277
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.160
local terms energy: -89.926785
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -4.864
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -544.550146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.550146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.550146 (E_RNA)
where:
Base-Base interactions energy: -361.527
where: short stacking energy: -157.472
Base-Backbone interact. energy: -0.950
local terms energy: -182.073063
where:
bonds (distance) C4'-P energy: -35.422
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -35.375
flat angles P-C4'-P energy: -31.886
tors. eta vs tors. theta energy: -49.060
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: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -531.293795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.293795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.293795 (E_RNA)
where:
Base-Base interactions energy: -365.988
where: short stacking energy: -143.248
Base-Backbone interact. energy: 0.220
local terms energy: -165.525494
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -39.728
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -43.323
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: 291
Temperature: 1.000000
Total energy: -556.960251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.960251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.960251 (E_RNA)
where:
Base-Base interactions energy: -373.318
where: short stacking energy: -169.664
Base-Backbone interact. energy: -0.008
local terms energy: -183.634762
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -54.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -519.586321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.586321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.586321 (E_RNA)
where:
Base-Base interactions energy: -355.106
where: short stacking energy: -149.986
Base-Backbone interact. energy: -0.587
local terms energy: -163.893086
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -33.514
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -47.906
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: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -468.987408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.987408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.987408 (E_RNA)
where:
Base-Base interactions energy: -325.834
where: short stacking energy: -131.939
Base-Backbone interact. energy: -0.549
local terms energy: -142.604773
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -36.149
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: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -425.086401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.086401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.086401 (E_RNA)
where:
Base-Base interactions energy: -276.068
where: short stacking energy: -128.553
Base-Backbone interact. energy: -0.113
local terms energy: -148.904841
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -39.015
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: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -361.637922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.637922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.637922 (E_RNA)
where:
Base-Base interactions energy: -233.098
where: short stacking energy: -101.916
Base-Backbone interact. energy: -0.331
local terms energy: -128.209404
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -23.815
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: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -297.459586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.459586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.459586 (E_RNA)
where:
Base-Base interactions energy: -180.213
where: short stacking energy: -83.225
Base-Backbone interact. energy: 3.784
local terms energy: -121.030845
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -253.130502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.130502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.130502 (E_RNA)
where:
Base-Base interactions energy: -148.091
where: short stacking energy: -78.176
Base-Backbone interact. energy: -1.015
local terms energy: -104.024185
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -9.674
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: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -146.112392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.112392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.112392 (E_RNA)
where:
Base-Base interactions energy: -51.303
where: short stacking energy: -42.210
Base-Backbone interact. energy: -0.530
local terms energy: -94.278949
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -12.860
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: 292
Temperature: 0.900000
Total energy: -551.459713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.459713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.459713 (E_RNA)
where:
Base-Base interactions energy: -370.908
where: short stacking energy: -151.051
Base-Backbone interact. energy: -0.996
local terms energy: -179.556189
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -36.837
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -55.177
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: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -528.310556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.310556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.310556 (E_RNA)
where:
Base-Base interactions energy: -367.777
where: short stacking energy: -136.132
Base-Backbone interact. energy: -0.902
local terms energy: -159.631427
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -39.794
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: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -535.843757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.843757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.843757 (E_RNA)
where:
Base-Base interactions energy: -367.113
where: short stacking energy: -156.381
Base-Backbone interact. energy: 1.865
local terms energy: -170.595212
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -47.536
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: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -512.993184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.993184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.993184 (E_RNA)
where:
Base-Base interactions energy: -341.407
where: short stacking energy: -142.684
Base-Backbone interact. energy: -0.536
local terms energy: -171.050632
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -28.443
tors. eta vs tors. theta energy: -45.438
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: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -485.560523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.560523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.560523 (E_RNA)
where:
Base-Base interactions energy: -331.653
where: short stacking energy: -144.464
Base-Backbone interact. energy: -0.317
local terms energy: -153.590747
where:
bonds (distance) C4'-P energy: -29.518
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -34.847
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: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -433.142461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.142461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.142461 (E_RNA)
where:
Base-Base interactions energy: -283.272
where: short stacking energy: -127.865
Base-Backbone interact. energy: -0.338
local terms energy: -149.533131
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -39.517
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -361.913357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.913357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.913357 (E_RNA)
where:
Base-Base interactions energy: -234.516
where: short stacking energy: -97.384
Base-Backbone interact. energy: -0.298
local terms energy: -127.099817
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -19.513
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: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -325.810256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.810256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.810256 (E_RNA)
where:
Base-Base interactions energy: -191.504
where: short stacking energy: -91.810
Base-Backbone interact. energy: -0.169
local terms energy: -134.137061
where:
bonds (distance) C4'-P energy: -33.543
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -22.656
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: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -236.369476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.369476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.369476 (E_RNA)
where:
Base-Base interactions energy: -137.173
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.473
local terms energy: -98.723292
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -145.367851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.367851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.367851 (E_RNA)
where:
Base-Base interactions energy: -51.056
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.633
local terms energy: -93.679648
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -34.353
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: 11.563
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: 293
Temperature: 0.900000
Total energy: -569.112466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.112466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.112466 (E_RNA)
where:
Base-Base interactions energy: -388.962
where: short stacking energy: -178.421
Base-Backbone interact. energy: -0.282
local terms energy: -179.868792
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -55.614
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: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -543.358594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.358594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.358594 (E_RNA)
where:
Base-Base interactions energy: -363.069
where: short stacking energy: -159.232
Base-Backbone interact. energy: -0.230
local terms energy: -180.059598
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -52.595
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: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -521.589568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.589568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.589568 (E_RNA)
where:
Base-Base interactions energy: -351.852
where: short stacking energy: -153.772
Base-Backbone interact. energy: -0.651
local terms energy: -169.086168
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -40.119
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -506.513156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.513156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.513156 (E_RNA)
where:
Base-Base interactions energy: -340.486
where: short stacking energy: -146.603
Base-Backbone interact. energy: -0.170
local terms energy: -165.857479
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -36.196
flat angles C4'-P-C4' energy: -36.792
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -41.869
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: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -486.324868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.324868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.324868 (E_RNA)
where:
Base-Base interactions energy: -335.103
where: short stacking energy: -137.605
Base-Backbone interact. energy: -1.599
local terms energy: -149.622596
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -41.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -447.669629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.669629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.669629 (E_RNA)
where:
Base-Base interactions energy: -296.155
where: short stacking energy: -123.424
Base-Backbone interact. energy: -0.140
local terms energy: -151.374870
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -39.543
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: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -363.921895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.921895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.921895 (E_RNA)
where:
Base-Base interactions energy: -246.929
where: short stacking energy: -114.803
Base-Backbone interact. energy: -0.320
local terms energy: -116.672143
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -16.227
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: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -325.269297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.269297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.269297 (E_RNA)
where:
Base-Base interactions energy: -202.563
where: short stacking energy: -97.331
Base-Backbone interact. energy: 0.811
local terms energy: -123.517985
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -22.946
tors. eta vs tors. theta energy: -26.104
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: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -231.070191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.070191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.070191 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -54.698
Base-Backbone interact. energy: -0.008
local terms energy: -100.198788
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: 3.435
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: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -133.263867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.263867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.263867 (E_RNA)
where:
Base-Base interactions energy: -42.097
where: short stacking energy: -33.032
Base-Backbone interact. energy: 1.484
local terms energy: -92.650612
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: 2.597
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: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -554.208883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.208883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.208883 (E_RNA)
where:
Base-Base interactions energy: -375.559
where: short stacking energy: -162.305
Base-Backbone interact. energy: 1.020
local terms energy: -179.670102
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -50.948
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: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -534.689941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.689941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.689941 (E_RNA)
where:
Base-Base interactions energy: -361.050
where: short stacking energy: -159.728
Base-Backbone interact. energy: 0.397
local terms energy: -174.036545
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -40.354
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -48.491
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: 294
Temperature: 1.000000
Total energy: -532.768351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.768351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.768351 (E_RNA)
where:
Base-Base interactions energy: -373.540
where: short stacking energy: -151.471
Base-Backbone interact. energy: 0.126
local terms energy: -159.355040
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -43.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -516.886220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.886220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.886220 (E_RNA)
where:
Base-Base interactions energy: -347.029
where: short stacking energy: -148.992
Base-Backbone interact. energy: 0.492
local terms energy: -170.349413
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -30.370
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -46.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -482.128194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.128194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.128194 (E_RNA)
where:
Base-Base interactions energy: -330.480
where: short stacking energy: -135.290
Base-Backbone interact. energy: -0.314
local terms energy: -151.334363
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -34.438
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -33.718
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: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -434.114295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.114295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.114295 (E_RNA)
where:
Base-Base interactions energy: -302.645
where: short stacking energy: -128.788
Base-Backbone interact. energy: -0.781
local terms energy: -130.688526
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -38.980
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: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -352.936510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.936510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.936510 (E_RNA)
where:
Base-Base interactions energy: -222.044
where: short stacking energy: -98.221
Base-Backbone interact. energy: -0.331
local terms energy: -130.561935
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -21.321
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: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -330.309551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.309551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.309551 (E_RNA)
where:
Base-Base interactions energy: -202.825
where: short stacking energy: -103.676
Base-Backbone interact. energy: -0.848
local terms energy: -126.636289
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -36.047
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -23.570
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: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -232.572493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.572493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.572493 (E_RNA)
where:
Base-Base interactions energy: -123.310
where: short stacking energy: -61.630
Base-Backbone interact. energy: -1.496
local terms energy: -107.766168
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -34.331
flat angles P-C4'-P energy: -16.453
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: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -152.212533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.212533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.212533 (E_RNA)
where:
Base-Base interactions energy: -60.759
where: short stacking energy: -32.715
Base-Backbone interact. energy: -1.307
local terms energy: -90.147144
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: 6.115
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: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -554.372928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.372928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.372928 (E_RNA)
where:
Base-Base interactions energy: -375.016
where: short stacking energy: -162.924
Base-Backbone interact. energy: -0.400
local terms energy: -178.956551
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -54.521
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: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -527.601935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.601935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.601935 (E_RNA)
where:
Base-Base interactions energy: -346.960
where: short stacking energy: -151.847
Base-Backbone interact. energy: 0.115
local terms energy: -180.757685
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -38.415
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -43.007
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: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -526.448699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.448699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.448699 (E_RNA)
where:
Base-Base interactions energy: -361.367
where: short stacking energy: -146.387
Base-Backbone interact. energy: -0.362
local terms energy: -164.719515
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -44.756
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: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -511.861338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.861338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.861338 (E_RNA)
where:
Base-Base interactions energy: -347.294
where: short stacking energy: -156.234
Base-Backbone interact. energy: -1.205
local terms energy: -163.362708
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -32.933
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -44.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -501.642402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.642402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.642402 (E_RNA)
where:
Base-Base interactions energy: -340.014
where: short stacking energy: -136.879
Base-Backbone interact. energy: -0.185
local terms energy: -161.444117
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -33.483
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: -43.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -443.590540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.590540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.590540 (E_RNA)
where:
Base-Base interactions energy: -302.113
where: short stacking energy: -132.473
Base-Backbone interact. energy: -0.045
local terms energy: -141.432998
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -33.070
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: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -337.726443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.726443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.726443 (E_RNA)
where:
Base-Base interactions energy: -206.233
where: short stacking energy: -106.825
Base-Backbone interact. energy: 2.382
local terms energy: -133.875620
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -26.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -351.534571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.534571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.534571 (E_RNA)
where:
Base-Base interactions energy: -231.983
where: short stacking energy: -93.193
Base-Backbone interact. energy: -0.359
local terms energy: -119.192802
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -221.092509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092509 (E_RNA)
where:
Base-Base interactions energy: -126.273
where: short stacking energy: -62.967
Base-Backbone interact. energy: 0.774
local terms energy: -95.593159
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -2.270
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: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -142.197306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.197306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.197306 (E_RNA)
where:
Base-Base interactions energy: -48.775
where: short stacking energy: -42.895
Base-Backbone interact. energy: -0.787
local terms energy: -92.635837
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -549.154363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.154363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.154363 (E_RNA)
where:
Base-Base interactions energy: -362.594
where: short stacking energy: -160.483
Base-Backbone interact. energy: -0.602
local terms energy: -185.959173
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -36.820
flat angles C4'-P-C4' energy: -34.795
flat angles P-C4'-P energy: -29.235
tors. eta vs tors. theta energy: -51.167
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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -551.238821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.238821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.238821 (E_RNA)
where:
Base-Base interactions energy: -377.148
where: short stacking energy: -163.326
Base-Backbone interact. energy: -0.798
local terms energy: -173.293108
where:
bonds (distance) C4'-P energy: -30.782
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -51.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -527.483206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.483206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.483206 (E_RNA)
where:
Base-Base interactions energy: -354.482
where: short stacking energy: -149.056
Base-Backbone interact. energy: -0.761
local terms energy: -172.240270
where:
bonds (distance) C4'-P energy: -30.184
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -36.058
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -46.660
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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -516.453158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.453158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.453158 (E_RNA)
where:
Base-Base interactions energy: -343.302
where: short stacking energy: -145.122
Base-Backbone interact. energy: 0.697
local terms energy: -173.847937
where:
bonds (distance) C4'-P energy: -38.344
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -42.229
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: 296
Temperature: 1.100000
Total energy: -484.319737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.319737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.319737 (E_RNA)
where:
Base-Base interactions energy: -328.690
where: short stacking energy: -135.799
Base-Backbone interact. energy: -0.996
local terms energy: -154.634026
where:
bonds (distance) C4'-P energy: -29.158
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -47.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -452.876729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.876729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.876729 (E_RNA)
where:
Base-Base interactions energy: -315.658
where: short stacking energy: -133.206
Base-Backbone interact. energy: -0.592
local terms energy: -136.627184
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -42.224
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: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -329.487469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.487469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.487469 (E_RNA)
where:
Base-Base interactions energy: -197.542
where: short stacking energy: -90.324
Base-Backbone interact. energy: -0.369
local terms energy: -131.575694
where:
bonds (distance) C4'-P energy: -30.106
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -23.361
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: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -306.119381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.119381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.119381 (E_RNA)
where:
Base-Base interactions energy: -183.156
where: short stacking energy: -84.450
Base-Backbone interact. energy: 0.385
local terms energy: -123.347544
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -160.643297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.643297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.643297 (E_RNA)
where:
Base-Base interactions energy: -64.519
where: short stacking energy: -48.007
Base-Backbone interact. energy: -1.652
local terms energy: -94.472404
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -1.869
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: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -179.656705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.656705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.656705 (E_RNA)
where:
Base-Base interactions energy: -80.288
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.247
local terms energy: -99.121944
where:
bonds (distance) C4'-P energy: -28.560
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -20.768
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: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -568.261752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.261752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.261752 (E_RNA)
where:
Base-Base interactions energy: -388.863
where: short stacking energy: -163.312
Base-Backbone interact. energy: -0.258
local terms energy: -179.141444
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -39.697
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -47.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -547.079040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.079040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.079040 (E_RNA)
where:
Base-Base interactions energy: -380.632
where: short stacking energy: -163.051
Base-Backbone interact. energy: -0.083
local terms energy: -166.364558
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -37.635
flat angles P-C4'-P energy: -24.795
tors. eta vs tors. theta energy: -46.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -538.065854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.065854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.065854 (E_RNA)
where:
Base-Base interactions energy: -373.908
where: short stacking energy: -162.001
Base-Backbone interact. energy: -0.761
local terms energy: -163.396949
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -51.253
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -495.725411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.725411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.725411 (E_RNA)
where:
Base-Base interactions energy: -332.587
where: short stacking energy: -140.777
Base-Backbone interact. energy: -0.006
local terms energy: -163.132486
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -41.037
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: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -494.313773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.313773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.313773 (E_RNA)
where:
Base-Base interactions energy: -331.619
where: short stacking energy: -136.524
Base-Backbone interact. energy: -0.475
local terms energy: -162.220280
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -36.588
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -456.067939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.067939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.067939 (E_RNA)
where:
Base-Base interactions energy: -308.577
where: short stacking energy: -139.847
Base-Backbone interact. energy: -0.482
local terms energy: -147.008696
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -40.943
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: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -355.799750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.799750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.799750 (E_RNA)
where:
Base-Base interactions energy: -227.523
where: short stacking energy: -108.738
Base-Backbone interact. energy: -0.460
local terms energy: -127.816932
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -27.070
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: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -259.482170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.482170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.482170 (E_RNA)
where:
Base-Base interactions energy: -135.771
where: short stacking energy: -56.812
Base-Backbone interact. energy: 0.276
local terms energy: -123.986858
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -5.374
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: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -165.293241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.293241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293241 (E_RNA)
where:
Base-Base interactions energy: -67.858
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.172
local terms energy: -97.263333
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -153.319634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.319634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.319634 (E_RNA)
where:
Base-Base interactions energy: -52.253
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.897
local terms energy: -100.169754
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -20.201
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: 298
Temperature: 0.900000
Total energy: -566.691787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.691787 (E_RNA)
where:
Base-Base interactions energy: -388.726
where: short stacking energy: -159.524
Base-Backbone interact. energy: -0.217
local terms energy: -177.749302
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -37.298
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -46.961
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: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -540.792231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.792231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.792231 (E_RNA)
where:
Base-Base interactions energy: -363.407
where: short stacking energy: -155.656
Base-Backbone interact. energy: -0.104
local terms energy: -177.281358
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -48.445
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: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -530.323641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.323641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.323641 (E_RNA)
where:
Base-Base interactions energy: -356.275
where: short stacking energy: -144.857
Base-Backbone interact. energy: -1.081
local terms energy: -172.967131
where:
bonds (distance) C4'-P energy: -36.555
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -34.882
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -48.611
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: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -496.904896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.904896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.904896 (E_RNA)
where:
Base-Base interactions energy: -350.783
where: short stacking energy: -136.354
Base-Backbone interact. energy: -0.314
local terms energy: -145.808002
where:
bonds (distance) C4'-P energy: -26.293
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -40.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -495.411548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.411548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.411548 (E_RNA)
where:
Base-Base interactions energy: -341.083
where: short stacking energy: -136.675
Base-Backbone interact. energy: -0.236
local terms energy: -154.092151
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -43.836
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: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -457.169638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.169638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.169638 (E_RNA)
where:
Base-Base interactions energy: -307.343
where: short stacking energy: -127.576
Base-Backbone interact. energy: 0.512
local terms energy: -150.337796
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -39.115
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: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -354.146890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.146890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.146890 (E_RNA)
where:
Base-Base interactions energy: -221.501
where: short stacking energy: -116.963
Base-Backbone interact. energy: -0.701
local terms energy: -131.945294
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -32.522
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: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -274.373175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.373175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.373175 (E_RNA)
where:
Base-Base interactions energy: -160.018
where: short stacking energy: -88.859
Base-Backbone interact. energy: -1.111
local terms energy: -113.243446
where:
bonds (distance) C4'-P energy: -28.732
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -15.540
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: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -150.901472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.901472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.901472 (E_RNA)
where:
Base-Base interactions energy: -46.597
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.298
local terms energy: -104.006615
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -147.702765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.702765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.702765 (E_RNA)
where:
Base-Base interactions energy: -42.450
where: short stacking energy: -38.155
Base-Backbone interact. energy: -0.348
local terms energy: -104.904810
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -559.324418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.324418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.324418 (E_RNA)
where:
Base-Base interactions energy: -389.295
where: short stacking energy: -152.620
Base-Backbone interact. energy: -0.509
local terms energy: -169.520372
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -45.676
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -538.318367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.318367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.318367 (E_RNA)
where:
Base-Base interactions energy: -358.895
where: short stacking energy: -156.992
Base-Backbone interact. energy: 0.601
local terms energy: -180.024278
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -46.018
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: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -533.427152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.427152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.427152 (E_RNA)
where:
Base-Base interactions energy: -358.215
where: short stacking energy: -153.783
Base-Backbone interact. energy: -1.483
local terms energy: -173.729542
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: -49.697
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -496.684531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.684531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.684531 (E_RNA)
where:
Base-Base interactions energy: -345.927
where: short stacking energy: -145.332
Base-Backbone interact. energy: -0.113
local terms energy: -150.644138
where:
bonds (distance) C4'-P energy: -24.754
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -44.393
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: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -488.444858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.444858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.444858 (E_RNA)
where:
Base-Base interactions energy: -327.825
where: short stacking energy: -136.359
Base-Backbone interact. energy: -0.759
local terms energy: -159.860817
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -40.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -451.650767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.650767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.650767 (E_RNA)
where:
Base-Base interactions energy: -284.903
where: short stacking energy: -134.304
Base-Backbone interact. energy: -0.033
local terms energy: -166.714772
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -51.136
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: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -336.896024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.896024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.896024 (E_RNA)
where:
Base-Base interactions energy: -204.201
where: short stacking energy: -100.288
Base-Backbone interact. energy: -0.704
local terms energy: -131.991260
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: -22.259
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -249.340418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.340418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.340418 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -75.651
Base-Backbone interact. energy: -0.319
local terms energy: -106.781419
where:
bonds (distance) C4'-P energy: -26.227
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -152.726033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.726033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.726033 (E_RNA)
where:
Base-Base interactions energy: -68.843
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.359
local terms energy: -83.524296
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -1.204
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: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -181.475258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.475258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.475258 (E_RNA)
where:
Base-Base interactions energy: -92.403
where: short stacking energy: -46.736
Base-Backbone interact. energy: -0.293
local terms energy: -88.778885
where:
bonds (distance) C4'-P energy: -26.785
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -25.653
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -6.375
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: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -549.945147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.945147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.945147 (E_RNA)
where:
Base-Base interactions energy: -382.272
where: short stacking energy: -146.160
Base-Backbone interact. energy: -0.463
local terms energy: -167.210633
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -47.985
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: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -539.573039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.573039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.573039 (E_RNA)
where:
Base-Base interactions energy: -362.195
where: short stacking energy: -155.624
Base-Backbone interact. energy: -1.097
local terms energy: -176.280897
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -50.794
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: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -521.058003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.058003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.058003 (E_RNA)
where:
Base-Base interactions energy: -361.719
where: short stacking energy: -154.419
Base-Backbone interact. energy: -1.344
local terms energy: -157.994369
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -35.920
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -46.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -518.918052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.918052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.918052 (E_RNA)
where:
Base-Base interactions energy: -364.430
where: short stacking energy: -157.904
Base-Backbone interact. energy: -0.110
local terms energy: -154.377767
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -37.506
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -44.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -476.085170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.085170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.085170 (E_RNA)
where:
Base-Base interactions energy: -320.166
where: short stacking energy: -133.446
Base-Backbone interact. energy: -1.420
local terms energy: -154.499163
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -40.003
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: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -467.601953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.601953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.601953 (E_RNA)
where:
Base-Base interactions energy: -308.058
where: short stacking energy: -133.743
Base-Backbone interact. energy: -0.610
local terms energy: -158.933791
where:
bonds (distance) C4'-P energy: -25.428
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -46.994
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: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -374.335042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.335042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.335042 (E_RNA)
where:
Base-Base interactions energy: -234.873
where: short stacking energy: -124.077
Base-Backbone interact. energy: -1.725
local terms energy: -137.736480
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -28.957
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -28.930
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: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -254.105676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.105676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.105676 (E_RNA)
where:
Base-Base interactions energy: -140.017
where: short stacking energy: -75.685
Base-Backbone interact. energy: -0.364
local terms energy: -113.724475
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -12.716
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: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -203.305948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.305948 (E_RNA)
where:
Base-Base interactions energy: -92.926
where: short stacking energy: -65.817
Base-Backbone interact. energy: 0.649
local terms energy: -111.028900
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -143.169550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.169550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.169550 (E_RNA)
where:
Base-Base interactions energy: -51.196
where: short stacking energy: -49.849
Base-Backbone interact. energy: 0.678
local terms energy: -92.651459
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: 4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -555.988019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.988019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.988019 (E_RNA)
where:
Base-Base interactions energy: -392.471
where: short stacking energy: -154.708
Base-Backbone interact. energy: -0.651
local terms energy: -162.865475
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -45.731
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: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -539.605567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.605567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.605567 (E_RNA)
where:
Base-Base interactions energy: -369.652
where: short stacking energy: -153.625
Base-Backbone interact. energy: -0.476
local terms energy: -169.477063
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -48.467
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: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -533.596708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.596708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.596708 (E_RNA)
where:
Base-Base interactions energy: -371.141
where: short stacking energy: -160.649
Base-Backbone interact. energy: 0.728
local terms energy: -163.183583
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -20.744
tors. eta vs tors. theta energy: -51.349
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: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -515.141309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.141309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.141309 (E_RNA)
where:
Base-Base interactions energy: -363.967
where: short stacking energy: -148.547
Base-Backbone interact. energy: -1.175
local terms energy: -149.998564
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -26.865
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -44.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -488.794752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.794752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.794752 (E_RNA)
where:
Base-Base interactions energy: -325.054
where: short stacking energy: -137.715
Base-Backbone interact. energy: -0.016
local terms energy: -163.724798
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -44.664
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: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -457.183378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.183378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.183378 (E_RNA)
where:
Base-Base interactions energy: -294.785
where: short stacking energy: -135.216
Base-Backbone interact. energy: -0.108
local terms energy: -162.289766
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -46.985
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: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -347.712496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.712496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.712496 (E_RNA)
where:
Base-Base interactions energy: -215.210
where: short stacking energy: -105.315
Base-Backbone interact. energy: -0.793
local terms energy: -131.709509
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -25.426
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: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -166.044404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.044404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.044404 (E_RNA)
where:
Base-Base interactions energy: -66.723
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.758
local terms energy: -98.563056
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -208.138255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.138255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.138255 (E_RNA)
where:
Base-Base interactions energy: -101.895
where: short stacking energy: -53.659
Base-Backbone interact. energy: -0.727
local terms energy: -105.516074
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -4.283
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: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -135.129189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.129189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.129189 (E_RNA)
where:
Base-Base interactions energy: -45.720
where: short stacking energy: -39.386
Base-Backbone interact. energy: 0.649
local terms energy: -90.057863
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -539.756095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.756095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.756095 (E_RNA)
where:
Base-Base interactions energy: -362.447
where: short stacking energy: -158.960
Base-Backbone interact. energy: -0.107
local terms energy: -177.202393
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -33.755
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: -49.596
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -526.171920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.171920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.171920 (E_RNA)
where:
Base-Base interactions energy: -353.579
where: short stacking energy: -153.353
Base-Backbone interact. energy: -0.130
local terms energy: -172.462696
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -44.848
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: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -548.840120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.840120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.840120 (E_RNA)
where:
Base-Base interactions energy: -368.887
where: short stacking energy: -164.553
Base-Backbone interact. energy: -0.068
local terms energy: -179.885336
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -32.577
flat angles C4'-P-C4' energy: -36.315
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -51.698
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: 302
Temperature: 1.050000
Total energy: -523.756875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.756875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.756875 (E_RNA)
where:
Base-Base interactions energy: -349.994
where: short stacking energy: -153.178
Base-Backbone interact. energy: -0.521
local terms energy: -173.241727
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -50.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -494.508208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.508208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.508208 (E_RNA)
where:
Base-Base interactions energy: -336.134
where: short stacking energy: -134.137
Base-Backbone interact. energy: -0.803
local terms energy: -157.571154
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -43.358
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -436.741948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.741948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.741948 (E_RNA)
where:
Base-Base interactions energy: -293.433
where: short stacking energy: -122.396
Base-Backbone interact. energy: 0.070
local terms energy: -143.378729
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -36.644
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: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -351.152576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.152576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.152576 (E_RNA)
where:
Base-Base interactions energy: -213.604
where: short stacking energy: -101.720
Base-Backbone interact. energy: 0.054
local terms energy: -137.603479
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -191.044042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.044042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.044042 (E_RNA)
where:
Base-Base interactions energy: -73.448
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.266
local terms energy: -117.330599
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -20.895
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: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -141.269036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.269036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.269036 (E_RNA)
where:
Base-Base interactions energy: -50.422
where: short stacking energy: -39.704
Base-Backbone interact. energy: 0.322
local terms energy: -91.168814
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: 3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -150.190504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.190504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.190504 (E_RNA)
where:
Base-Base interactions energy: -57.349
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.454
local terms energy: -92.388385
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -8.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -545.958779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.958779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.958779 (E_RNA)
where:
Base-Base interactions energy: -362.769
where: short stacking energy: -160.798
Base-Backbone interact. energy: -0.110
local terms energy: -183.080463
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -49.349
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: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -552.882251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.882251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.882251 (E_RNA)
where:
Base-Base interactions energy: -369.645
where: short stacking energy: -162.882
Base-Backbone interact. energy: 0.352
local terms energy: -183.589630
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -33.938
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -51.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -513.609257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.609257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.609257 (E_RNA)
where:
Base-Base interactions energy: -343.373
where: short stacking energy: -143.830
Base-Backbone interact. energy: 0.829
local terms energy: -171.065654
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -34.322
flat angles C4'-P-C4' energy: -39.692
flat angles P-C4'-P energy: -27.527
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: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -496.963713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.963713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.963713 (E_RNA)
where:
Base-Base interactions energy: -338.466
where: short stacking energy: -150.089
Base-Backbone interact. energy: -0.411
local terms energy: -158.086751
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -43.531
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: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -494.113689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.113689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.113689 (E_RNA)
where:
Base-Base interactions energy: -343.082
where: short stacking energy: -135.463
Base-Backbone interact. energy: -0.191
local terms energy: -150.840911
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -34.927
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -41.174
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: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -355.361050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.361050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.361050 (E_RNA)
where:
Base-Base interactions energy: -221.742
where: short stacking energy: -108.794
Base-Backbone interact. energy: 1.053
local terms energy: -134.672290
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -26.777
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: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -423.530945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.530945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.530945 (E_RNA)
where:
Base-Base interactions energy: -278.202
where: short stacking energy: -117.211
Base-Backbone interact. energy: -0.324
local terms energy: -145.004879
where:
bonds (distance) C4'-P energy: -36.137
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -33.525
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: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -183.626033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.626033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.626033 (E_RNA)
where:
Base-Base interactions energy: -62.780
where: short stacking energy: -60.647
Base-Backbone interact. energy: -1.128
local terms energy: -119.717925
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -12.584
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: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -146.343971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.343971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.343971 (E_RNA)
where:
Base-Base interactions energy: -53.793
where: short stacking energy: -42.218
Base-Backbone interact. energy: 1.835
local terms energy: -94.386461
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: 3.696
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: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -140.539370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.539370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.539370 (E_RNA)
where:
Base-Base interactions energy: -56.913
where: short stacking energy: -42.995
Base-Backbone interact. energy: 1.090
local terms energy: -84.716688
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: 5.586
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: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -547.857682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.857682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.857682 (E_RNA)
where:
Base-Base interactions energy: -377.146
where: short stacking energy: -153.824
Base-Backbone interact. energy: -0.616
local terms energy: -170.095662
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -36.447
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -48.947
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: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -543.590160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.590160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.590160 (E_RNA)
where:
Base-Base interactions energy: -360.885
where: short stacking energy: -154.475
Base-Backbone interact. energy: 0.451
local terms energy: -183.156143
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -38.546
flat angles P-C4'-P energy: -28.139
tors. eta vs tors. theta energy: -50.877
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: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -516.034182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.034182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.034182 (E_RNA)
where:
Base-Base interactions energy: -349.050
where: short stacking energy: -148.454
Base-Backbone interact. energy: -0.047
local terms energy: -166.937061
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -46.813
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: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -502.651039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.651039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.651039 (E_RNA)
where:
Base-Base interactions energy: -347.819
where: short stacking energy: -141.718
Base-Backbone interact. energy: -1.158
local terms energy: -153.673648
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -44.110
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: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -500.000284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.000284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.000284 (E_RNA)
where:
Base-Base interactions energy: -334.492
where: short stacking energy: -134.434
Base-Backbone interact. energy: -0.284
local terms energy: -165.223566
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -42.013
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: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -374.922110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.922110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.922110 (E_RNA)
where:
Base-Base interactions energy: -236.094
where: short stacking energy: -112.566
Base-Backbone interact. energy: -1.568
local terms energy: -137.259580
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -35.933
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: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -408.966353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.966353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.966353 (E_RNA)
where:
Base-Base interactions energy: -270.522
where: short stacking energy: -118.681
Base-Backbone interact. energy: -0.279
local terms energy: -138.164664
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -29.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -257.260263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.260263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.260263 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -75.270
Base-Backbone interact. energy: 1.690
local terms energy: -115.078124
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -8.154
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: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -210.394856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394856 (E_RNA)
where:
Base-Base interactions energy: -108.606
where: short stacking energy: -47.770
Base-Backbone interact. energy: -0.240
local terms energy: -101.549807
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -10.763
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: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -155.536773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.536773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.536773 (E_RNA)
where:
Base-Base interactions energy: -63.864
where: short stacking energy: -34.499
Base-Backbone interact. energy: -0.123
local terms energy: -91.550238
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: 1.498
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: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -544.707063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.707063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.707063 (E_RNA)
where:
Base-Base interactions energy: -369.453
where: short stacking energy: -156.050
Base-Backbone interact. energy: -0.193
local terms energy: -175.061233
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -44.967
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: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -535.480465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.480465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.480465 (E_RNA)
where:
Base-Base interactions energy: -371.577
where: short stacking energy: -158.555
Base-Backbone interact. energy: -1.340
local terms energy: -162.563478
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -45.893
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: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -534.205814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.205814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.205814 (E_RNA)
where:
Base-Base interactions energy: -373.940
where: short stacking energy: -163.385
Base-Backbone interact. energy: -0.107
local terms energy: -160.158821
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -55.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -509.680008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.680008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.680008 (E_RNA)
where:
Base-Base interactions energy: -341.146
where: short stacking energy: -142.629
Base-Backbone interact. energy: -1.113
local terms energy: -167.421218
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -26.485
flat angles C4'-P-C4' energy: -37.894
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -48.847
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -506.999426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.999426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.999426 (E_RNA)
where:
Base-Base interactions energy: -338.707
where: short stacking energy: -145.396
Base-Backbone interact. energy: -1.033
local terms energy: -167.259162
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -47.630
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: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -448.389613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.389613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.389613 (E_RNA)
where:
Base-Base interactions energy: -305.178
where: short stacking energy: -133.528
Base-Backbone interact. energy: 0.674
local terms energy: -143.884915
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -34.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -356.757065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.757065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.757065 (E_RNA)
where:
Base-Base interactions energy: -233.378
where: short stacking energy: -98.723
Base-Backbone interact. energy: -0.263
local terms energy: -123.115582
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -26.604
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: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -242.035021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.035021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.035021 (E_RNA)
where:
Base-Base interactions energy: -127.989
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.148
local terms energy: -113.898559
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -8.805
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: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -196.781325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.781325 (E_RNA)
where:
Base-Base interactions energy: -97.752
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.006
local terms energy: -99.022771
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -1.251
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -146.187974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.187974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.187974 (E_RNA)
where:
Base-Base interactions energy: -64.800
where: short stacking energy: -35.654
Base-Backbone interact. energy: 3.742
local terms energy: -85.129680
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: 4.617
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: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -553.146008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.146008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.146008 (E_RNA)
where:
Base-Base interactions energy: -366.073
where: short stacking energy: -162.331
Base-Backbone interact. energy: -0.257
local terms energy: -186.815588
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -26.905
tors. eta vs tors. theta energy: -51.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -534.317524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.317524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.317524 (E_RNA)
where:
Base-Base interactions energy: -361.731
where: short stacking energy: -153.292
Base-Backbone interact. energy: -0.939
local terms energy: -171.647951
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -36.760
flat angles P-C4'-P energy: -26.159
tors. eta vs tors. theta energy: -48.458
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: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -509.902958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.902958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.902958 (E_RNA)
where:
Base-Base interactions energy: -346.390
where: short stacking energy: -151.014
Base-Backbone interact. energy: -0.097
local terms energy: -163.416406
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -43.765
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: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -516.526717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.526717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.526717 (E_RNA)
where:
Base-Base interactions energy: -350.783
where: short stacking energy: -146.490
Base-Backbone interact. energy: -0.755
local terms energy: -164.989386
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -48.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -508.554103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.554103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.554103 (E_RNA)
where:
Base-Base interactions energy: -345.447
where: short stacking energy: -160.693
Base-Backbone interact. energy: 0.321
local terms energy: -163.428774
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -47.270
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: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -468.807887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.807887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.807887 (E_RNA)
where:
Base-Base interactions energy: -307.794
where: short stacking energy: -138.161
Base-Backbone interact. energy: -0.236
local terms energy: -160.777630
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -36.269
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -40.965
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: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -340.736696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.736696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.736696 (E_RNA)
where:
Base-Base interactions energy: -204.481
where: short stacking energy: -92.448
Base-Backbone interact. energy: -1.116
local terms energy: -135.139302
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -261.321105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.321105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.321105 (E_RNA)
where:
Base-Base interactions energy: -146.862
where: short stacking energy: -79.181
Base-Backbone interact. energy: 0.281
local terms energy: -114.740379
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -17.851
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: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -160.330355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.330355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.330355 (E_RNA)
where:
Base-Base interactions energy: -56.764
where: short stacking energy: -44.651
Base-Backbone interact. energy: 1.033
local terms energy: -104.599049
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: 2.344
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: 306
Temperature: 1.350000
Total energy: -145.133769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.133769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.133769 (E_RNA)
where:
Base-Base interactions energy: -44.411
where: short stacking energy: -37.677
Base-Backbone interact. energy: -0.907
local terms energy: -99.816061
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -26.590
tors. eta vs tors. theta energy: -4.260
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: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -556.653814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.653814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.653814 (E_RNA)
where:
Base-Base interactions energy: -384.056
where: short stacking energy: -161.489
Base-Backbone interact. energy: -0.580
local terms energy: -172.017901
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -47.486
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: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -529.420391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.420391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.420391 (E_RNA)
where:
Base-Base interactions energy: -357.009
where: short stacking energy: -148.571
Base-Backbone interact. energy: -0.988
local terms energy: -171.423330
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -41.964
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: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -520.629241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.629241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.629241 (E_RNA)
where:
Base-Base interactions energy: -357.797
where: short stacking energy: -155.909
Base-Backbone interact. energy: -0.827
local terms energy: -162.005766
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -51.264
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: 307
Temperature: 1.050000
Total energy: -527.093483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.093483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.093483 (E_RNA)
where:
Base-Base interactions energy: -354.077
where: short stacking energy: -151.308
Base-Backbone interact. energy: -0.764
local terms energy: -172.251930
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -45.529
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: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -505.473004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.473004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.473004 (E_RNA)
where:
Base-Base interactions energy: -348.592
where: short stacking energy: -139.402
Base-Backbone interact. energy: -0.295
local terms energy: -156.585617
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -48.023
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: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -439.025297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.025297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.025297 (E_RNA)
where:
Base-Base interactions energy: -296.688
where: short stacking energy: -128.637
Base-Backbone interact. energy: -0.337
local terms energy: -142.000038
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -37.178
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -349.428868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.428868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.428868 (E_RNA)
where:
Base-Base interactions energy: -219.205
where: short stacking energy: -104.752
Base-Backbone interact. energy: -0.005
local terms energy: -130.218185
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -251.507612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.507612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.507612 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.755
local terms energy: -110.084956
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -14.605
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: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -160.454639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.454639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.454639 (E_RNA)
where:
Base-Base interactions energy: -47.393
where: short stacking energy: -43.832
Base-Backbone interact. energy: -0.050
local terms energy: -113.011792
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -139.712636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.712636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.712636 (E_RNA)
where:
Base-Base interactions energy: -44.284
where: short stacking energy: -31.376
Base-Backbone interact. energy: -0.326
local terms energy: -95.102520
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -545.697352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.697352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.697352 (E_RNA)
where:
Base-Base interactions energy: -368.571
where: short stacking energy: -158.574
Base-Backbone interact. energy: -0.196
local terms energy: -176.930689
where:
bonds (distance) C4'-P energy: -32.208
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -51.101
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: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -534.766950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.766950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.766950 (E_RNA)
where:
Base-Base interactions energy: -362.895
where: short stacking energy: -152.565
Base-Backbone interact. energy: -2.666
local terms energy: -169.206360
where:
bonds (distance) C4'-P energy: -34.443
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -526.849051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.849051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.849051 (E_RNA)
where:
Base-Base interactions energy: -362.841
where: short stacking energy: -148.073
Base-Backbone interact. energy: -0.317
local terms energy: -163.690785
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -48.153
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: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -530.221247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.221247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.221247 (E_RNA)
where:
Base-Base interactions energy: -352.924
where: short stacking energy: -151.589
Base-Backbone interact. energy: -1.098
local terms energy: -176.198940
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -46.805
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: 308
Temperature: 1.100000
Total energy: -512.436957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.436957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.436957 (E_RNA)
where:
Base-Base interactions energy: -351.857
where: short stacking energy: -149.568
Base-Backbone interact. energy: -3.045
local terms energy: -157.535333
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -426.200385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.200385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.200385 (E_RNA)
where:
Base-Base interactions energy: -280.386
where: short stacking energy: -120.674
Base-Backbone interact. energy: -0.242
local terms energy: -145.572259
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -32.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -334.473627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.473627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.473627 (E_RNA)
where:
Base-Base interactions energy: -201.536
where: short stacking energy: -86.351
Base-Backbone interact. energy: -0.328
local terms energy: -132.609867
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -22.014
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: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -243.532821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.532821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.532821 (E_RNA)
where:
Base-Base interactions energy: -132.500
where: short stacking energy: -72.667
Base-Backbone interact. energy: -1.748
local terms energy: -109.284114
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -12.366
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: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -153.083791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.083791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.083791 (E_RNA)
where:
Base-Base interactions energy: -49.544
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.402
local terms energy: -103.137955
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -32.917
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: 0.165
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: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -152.563739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.563739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.563739 (E_RNA)
where:
Base-Base interactions energy: -55.483
where: short stacking energy: -28.822
Base-Backbone interact. energy: 0.724
local terms energy: -97.804821
where:
bonds (distance) C4'-P energy: -30.816
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: 5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -541.927768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.927768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.927768 (E_RNA)
where:
Base-Base interactions energy: -363.977
where: short stacking energy: -154.264
Base-Backbone interact. energy: -0.189
local terms energy: -177.761420
where:
bonds (distance) C4'-P energy: -33.082
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -40.138
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -43.209
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: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -544.735115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.735115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.735115 (E_RNA)
where:
Base-Base interactions energy: -365.540
where: short stacking energy: -163.878
Base-Backbone interact. energy: 0.682
local terms energy: -179.877211
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -49.519
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: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -550.218118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.218118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.218118 (E_RNA)
where:
Base-Base interactions energy: -382.602
where: short stacking energy: -162.569
Base-Backbone interact. energy: -1.446
local terms energy: -166.170657
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -523.535853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.535853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.535853 (E_RNA)
where:
Base-Base interactions energy: -351.513
where: short stacking energy: -149.433
Base-Backbone interact. energy: -0.901
local terms energy: -171.122648
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -36.138
flat angles P-C4'-P energy: -25.649
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: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -503.419716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.419716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.419716 (E_RNA)
where:
Base-Base interactions energy: -349.792
where: short stacking energy: -152.004
Base-Backbone interact. energy: -0.197
local terms energy: -153.431024
where:
bonds (distance) C4'-P energy: -25.424
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -43.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -432.511028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.511028 (E_RNA)
where:
Base-Base interactions energy: -288.427
where: short stacking energy: -133.009
Base-Backbone interact. energy: -0.506
local terms energy: -143.577702
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -41.961
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: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -339.600913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.600913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.600913 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -97.951
Base-Backbone interact. energy: -0.353
local terms energy: -134.655289
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -25.862
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: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -260.795018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.795018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.795018 (E_RNA)
where:
Base-Base interactions energy: -143.626
where: short stacking energy: -73.602
Base-Backbone interact. energy: -0.165
local terms energy: -117.004345
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -10.763
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -148.319261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.319261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.319261 (E_RNA)
where:
Base-Base interactions energy: -53.608
where: short stacking energy: -39.965
Base-Backbone interact. energy: 1.617
local terms energy: -96.328291
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -124.726738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.726738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.726738 (E_RNA)
where:
Base-Base interactions energy: -34.120
where: short stacking energy: -31.005
Base-Backbone interact. energy: -1.003
local terms energy: -89.603938
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: 13.216
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: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -561.001502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.001502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.001502 (E_RNA)
where:
Base-Base interactions energy: -373.005
where: short stacking energy: -173.392
Base-Backbone interact. energy: -0.161
local terms energy: -187.836062
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -48.236
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: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -541.017925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.017925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.017925 (E_RNA)
where:
Base-Base interactions energy: -364.873
where: short stacking energy: -152.458
Base-Backbone interact. energy: -0.112
local terms energy: -176.032559
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -32.677
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -49.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -529.574174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.574174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.574174 (E_RNA)
where:
Base-Base interactions energy: -351.125
where: short stacking energy: -150.612
Base-Backbone interact. energy: -0.148
local terms energy: -178.300363
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -39.651
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -51.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -524.950002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.950002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.950002 (E_RNA)
where:
Base-Base interactions energy: -360.452
where: short stacking energy: -154.549
Base-Backbone interact. energy: -0.419
local terms energy: -164.079373
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -50.086
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: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -500.230103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.230103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.230103 (E_RNA)
where:
Base-Base interactions energy: -333.796
where: short stacking energy: -150.327
Base-Backbone interact. energy: -0.723
local terms energy: -165.711198
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -44.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -430.450682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.450682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.450682 (E_RNA)
where:
Base-Base interactions energy: -294.352
where: short stacking energy: -135.572
Base-Backbone interact. energy: 0.099
local terms energy: -136.197603
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -40.826
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: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -329.867476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.867476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.867476 (E_RNA)
where:
Base-Base interactions energy: -188.527
where: short stacking energy: -92.743
Base-Backbone interact. energy: -0.339
local terms energy: -141.001029
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -35.318
flat angles C4'-P-C4' energy: -37.089
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -270.448548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.448548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.448548 (E_RNA)
where:
Base-Base interactions energy: -168.969
where: short stacking energy: -81.069
Base-Backbone interact. energy: -1.115
local terms energy: -100.363898
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -214.716580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.716580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.716580 (E_RNA)
where:
Base-Base interactions energy: -109.642
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.410
local terms energy: -104.664457
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -16.799
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: 310
Temperature: 1.350000
Total energy: -132.705505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.705505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.705505 (E_RNA)
where:
Base-Base interactions energy: -52.451
where: short stacking energy: -46.874
Base-Backbone interact. energy: 2.161
local terms energy: -82.415560
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: 7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -545.240964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.240964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.240964 (E_RNA)
where:
Base-Base interactions energy: -361.402
where: short stacking energy: -156.457
Base-Backbone interact. energy: -0.639
local terms energy: -183.200798
where:
bonds (distance) C4'-P energy: -34.098
bonds (distance) P-C4' energy: -39.983
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -45.337
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: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -542.545433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.545433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.545433 (E_RNA)
where:
Base-Base interactions energy: -370.207
where: short stacking energy: -155.091
Base-Backbone interact. energy: -0.677
local terms energy: -171.661463
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -46.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -530.360879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.360879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.360879 (E_RNA)
where:
Base-Base interactions energy: -355.104
where: short stacking energy: -156.245
Base-Backbone interact. energy: -0.131
local terms energy: -175.126212
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -47.751
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: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -530.433261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.433261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.433261 (E_RNA)
where:
Base-Base interactions energy: -359.346
where: short stacking energy: -152.533
Base-Backbone interact. energy: -0.915
local terms energy: -170.172669
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -48.009
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: 311
Temperature: 1.100000
Total energy: -487.486464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.486464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.486464 (E_RNA)
where:
Base-Base interactions energy: -326.358
where: short stacking energy: -133.215
Base-Backbone interact. energy: 0.341
local terms energy: -161.469283
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -36.409
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -40.281
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: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -438.599738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.599738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.599738 (E_RNA)
where:
Base-Base interactions energy: -297.976
where: short stacking energy: -129.428
Base-Backbone interact. energy: -1.294
local terms energy: -139.329637
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -35.342
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: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -340.067265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.067265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.067265 (E_RNA)
where:
Base-Base interactions energy: -220.033
where: short stacking energy: -97.208
Base-Backbone interact. energy: -0.721
local terms energy: -119.312967
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -252.327682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.327682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.327682 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -84.816
Base-Backbone interact. energy: 1.835
local terms energy: -104.706619
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -172.160695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.160695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.160695 (E_RNA)
where:
Base-Base interactions energy: -81.059
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.397
local terms energy: -90.704302
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -13.658
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -132.550305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.550305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.550305 (E_RNA)
where:
Base-Base interactions energy: -41.942
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.451
local terms energy: -90.157588
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: 0.765
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: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -541.940561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.940561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.940561 (E_RNA)
where:
Base-Base interactions energy: -363.750
where: short stacking energy: -158.815
Base-Backbone interact. energy: -0.230
local terms energy: -177.959736
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -43.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -540.952453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.952453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.952453 (E_RNA)
where:
Base-Base interactions energy: -366.826
where: short stacking energy: -152.972
Base-Backbone interact. energy: -0.198
local terms energy: -173.928390
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -32.329
flat angles C4'-P-C4' energy: -38.350
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -45.672
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: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -540.002700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.002700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.002700 (E_RNA)
where:
Base-Base interactions energy: -361.734
where: short stacking energy: -149.231
Base-Backbone interact. energy: -0.416
local terms energy: -177.852699
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -39.168
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -45.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -522.971810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.971810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.971810 (E_RNA)
where:
Base-Base interactions energy: -359.163
where: short stacking energy: -140.853
Base-Backbone interact. energy: 0.839
local terms energy: -164.647661
where:
bonds (distance) C4'-P energy: -29.604
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -43.078
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: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -498.766606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.766606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.766606 (E_RNA)
where:
Base-Base interactions energy: -332.219
where: short stacking energy: -134.397
Base-Backbone interact. energy: -0.147
local terms energy: -166.400417
where:
bonds (distance) C4'-P energy: -32.000
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -40.468
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: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -430.407497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.407497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.407497 (E_RNA)
where:
Base-Base interactions energy: -286.445
where: short stacking energy: -130.135
Base-Backbone interact. energy: -0.141
local terms energy: -143.821541
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -37.378
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: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -354.177503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.177503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.177503 (E_RNA)
where:
Base-Base interactions energy: -216.152
where: short stacking energy: -105.554
Base-Backbone interact. energy: -1.609
local terms energy: -136.417027
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -33.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -252.833677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.833677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.833677 (E_RNA)
where:
Base-Base interactions energy: -126.722
where: short stacking energy: -55.587
Base-Backbone interact. energy: 0.154
local terms energy: -126.266025
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -9.755
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: 312
Temperature: 1.300000
Total energy: -176.791872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.791872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.791872 (E_RNA)
where:
Base-Base interactions energy: -59.987
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.694
local terms energy: -116.111250
where:
bonds (distance) C4'-P energy: -23.880
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -11.491
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: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -134.171361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.171361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.171361 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.006
local terms energy: -89.666338
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -0.987
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: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -541.634558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.634558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.634558 (E_RNA)
where:
Base-Base interactions energy: -373.526
where: short stacking energy: -169.792
Base-Backbone interact. energy: -0.265
local terms energy: -167.843586
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -28.937
flat angles C4'-P-C4' energy: -37.355
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -48.414
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: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -530.775637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.775637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.775637 (E_RNA)
where:
Base-Base interactions energy: -356.810
where: short stacking energy: -148.071
Base-Backbone interact. energy: 1.002
local terms energy: -174.968171
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -26.537
tors. eta vs tors. theta energy: -45.714
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: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -537.974780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.974780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.974780 (E_RNA)
where:
Base-Base interactions energy: -370.425
where: short stacking energy: -151.925
Base-Backbone interact. energy: -0.480
local terms energy: -167.070160
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -49.041
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: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -510.167059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.167059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.167059 (E_RNA)
where:
Base-Base interactions energy: -341.446
where: short stacking energy: -147.913
Base-Backbone interact. energy: -0.597
local terms energy: -168.123721
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -40.557
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -43.769
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: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -490.656254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.656254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.656254 (E_RNA)
where:
Base-Base interactions energy: -332.429
where: short stacking energy: -131.676
Base-Backbone interact. energy: -0.360
local terms energy: -157.868024
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -46.195
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: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -441.649374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.649374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.649374 (E_RNA)
where:
Base-Base interactions energy: -293.390
where: short stacking energy: -131.314
Base-Backbone interact. energy: -0.646
local terms energy: -147.612994
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -37.133
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -42.558
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: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -335.013591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.013591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.013591 (E_RNA)
where:
Base-Base interactions energy: -207.572
where: short stacking energy: -97.898
Base-Backbone interact. energy: 2.676
local terms energy: -130.116742
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -257.512873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.512873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.512873 (E_RNA)
where:
Base-Base interactions energy: -142.785
where: short stacking energy: -86.817
Base-Backbone interact. energy: 0.960
local terms energy: -115.687347
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -12.799
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: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -164.894027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.894027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.894027 (E_RNA)
where:
Base-Base interactions energy: -71.326
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.362
local terms energy: -93.206356
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -143.400889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.400889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.400889 (E_RNA)
where:
Base-Base interactions energy: -49.925
where: short stacking energy: -36.023
Base-Backbone interact. energy: 2.099
local terms energy: -95.574797
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: 4.423
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: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -543.107462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.107462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.107462 (E_RNA)
where:
Base-Base interactions energy: -367.789
where: short stacking energy: -158.215
Base-Backbone interact. energy: -0.614
local terms energy: -174.704827
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -49.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -540.068941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.068941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.068941 (E_RNA)
where:
Base-Base interactions energy: -363.785
where: short stacking energy: -156.148
Base-Backbone interact. energy: -1.864
local terms energy: -174.419721
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -40.370
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -49.465
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: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -527.633256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.633256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.633256 (E_RNA)
where:
Base-Base interactions energy: -361.490
where: short stacking energy: -153.832
Base-Backbone interact. energy: 0.187
local terms energy: -166.330126
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -24.788
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: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -529.943172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.943172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.943172 (E_RNA)
where:
Base-Base interactions energy: -351.548
where: short stacking energy: -150.029
Base-Backbone interact. energy: -0.871
local terms energy: -177.524598
where:
bonds (distance) C4'-P energy: -31.988
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -52.962
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: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -454.982700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.982700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.982700 (E_RNA)
where:
Base-Base interactions energy: -297.310
where: short stacking energy: -125.255
Base-Backbone interact. energy: 0.710
local terms energy: -158.382961
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -36.990
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: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -483.930101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.930101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.930101 (E_RNA)
where:
Base-Base interactions energy: -332.376
where: short stacking energy: -133.884
Base-Backbone interact. energy: -1.280
local terms energy: -150.273720
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -38.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -334.225581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.225581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.225581 (E_RNA)
where:
Base-Base interactions energy: -210.746
where: short stacking energy: -91.665
Base-Backbone interact. energy: -0.611
local terms energy: -122.868535
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -22.799
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: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -261.273280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.273280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.273280 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.404
local terms energy: -121.057350
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -164.593911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.593911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.593911 (E_RNA)
where:
Base-Base interactions energy: -69.606
where: short stacking energy: -62.673
Base-Backbone interact. energy: 0.116
local terms energy: -95.104387
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -1.758
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: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -148.426226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.426226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.426226 (E_RNA)
where:
Base-Base interactions energy: -55.193
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.306
local terms energy: -92.927024
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: 8.395
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: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -541.352975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.352975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.352975 (E_RNA)
where:
Base-Base interactions energy: -368.239
where: short stacking energy: -151.553
Base-Backbone interact. energy: -0.193
local terms energy: -172.921317
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -527.143411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.143411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.143411 (E_RNA)
where:
Base-Base interactions energy: -352.368
where: short stacking energy: -152.944
Base-Backbone interact. energy: -0.282
local terms energy: -174.493542
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -50.329
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: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -543.292554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.292554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.292554 (E_RNA)
where:
Base-Base interactions energy: -370.133
where: short stacking energy: -152.921
Base-Backbone interact. energy: -0.025
local terms energy: -173.134638
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -529.356845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.356845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.356845 (E_RNA)
where:
Base-Base interactions energy: -349.318
where: short stacking energy: -158.008
Base-Backbone interact. energy: -0.411
local terms energy: -179.628611
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -40.043
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -51.015
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: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -462.614690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.614690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.614690 (E_RNA)
where:
Base-Base interactions energy: -308.528
where: short stacking energy: -138.730
Base-Backbone interact. energy: -0.145
local terms energy: -153.942095
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -40.125
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: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -478.413404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.413404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.413404 (E_RNA)
where:
Base-Base interactions energy: -337.717
where: short stacking energy: -134.631
Base-Backbone interact. energy: 0.328
local terms energy: -141.024306
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -28.880
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -41.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -338.749861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.749861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.749861 (E_RNA)
where:
Base-Base interactions energy: -219.615
where: short stacking energy: -109.384
Base-Backbone interact. energy: -0.475
local terms energy: -118.659136
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -30.431
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: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -254.893224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.893224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.893224 (E_RNA)
where:
Base-Base interactions energy: -141.304
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.985
local terms energy: -112.603809
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -11.394
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: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -198.724635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724635 (E_RNA)
where:
Base-Base interactions energy: -102.490
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.866
local terms energy: -95.367991
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -2.337
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: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -146.792948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.792948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.792948 (E_RNA)
where:
Base-Base interactions energy: -56.684
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.336
local terms energy: -89.773045
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: 3.014
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: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -556.576019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.576019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.576019 (E_RNA)
where:
Base-Base interactions energy: -382.838
where: short stacking energy: -154.751
Base-Backbone interact. energy: -0.205
local terms energy: -173.533047
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -33.475
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -46.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -537.979760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.979760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.979760 (E_RNA)
where:
Base-Base interactions energy: -379.289
where: short stacking energy: -161.331
Base-Backbone interact. energy: -0.107
local terms energy: -158.583779
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -48.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -531.478471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.478471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.478471 (E_RNA)
where:
Base-Base interactions energy: -356.041
where: short stacking energy: -163.589
Base-Backbone interact. energy: 1.434
local terms energy: -176.871644
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -50.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -530.353279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.353279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.353279 (E_RNA)
where:
Base-Base interactions energy: -361.761
where: short stacking energy: -159.472
Base-Backbone interact. energy: 0.013
local terms energy: -168.605517
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -50.220
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: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -504.717124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.717124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.717124 (E_RNA)
where:
Base-Base interactions energy: -345.916
where: short stacking energy: -142.698
Base-Backbone interact. energy: -0.741
local terms energy: -158.060442
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -47.619
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: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -426.700133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.700133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.700133 (E_RNA)
where:
Base-Base interactions energy: -284.833
where: short stacking energy: -123.590
Base-Backbone interact. energy: 0.391
local terms energy: -142.258301
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -36.086
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -328.681854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.681854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.681854 (E_RNA)
where:
Base-Base interactions energy: -205.312
where: short stacking energy: -90.741
Base-Backbone interact. energy: -0.488
local terms energy: -122.882122
where:
bonds (distance) C4'-P energy: -31.195
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -279.142067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.142067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.142067 (E_RNA)
where:
Base-Base interactions energy: -157.471
where: short stacking energy: -86.026
Base-Backbone interact. energy: -0.240
local terms energy: -121.431132
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -17.927
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: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -148.074999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.074999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.074999 (E_RNA)
where:
Base-Base interactions energy: -49.002
where: short stacking energy: -49.002
Base-Backbone interact. energy: 0.018
local terms energy: -99.090993
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -142.119208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.119208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.119208 (E_RNA)
where:
Base-Base interactions energy: -47.325
where: short stacking energy: -46.240
Base-Backbone interact. energy: -0.459
local terms energy: -94.335574
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -2.280
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: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -550.530933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.530933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.530933 (E_RNA)
where:
Base-Base interactions energy: -377.233
where: short stacking energy: -153.447
Base-Backbone interact. energy: -1.495
local terms energy: -171.802744
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -38.226
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -47.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -531.898747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.898747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.898747 (E_RNA)
where:
Base-Base interactions energy: -360.326
where: short stacking energy: -166.942
Base-Backbone interact. energy: -0.663
local terms energy: -170.910343
where:
bonds (distance) C4'-P energy: -29.576
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -35.541
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -50.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -522.604885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.604885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.604885 (E_RNA)
where:
Base-Base interactions energy: -368.688
where: short stacking energy: -153.376
Base-Backbone interact. energy: -0.385
local terms energy: -153.531841
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -44.396
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: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -527.318155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.318155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.318155 (E_RNA)
where:
Base-Base interactions energy: -345.439
where: short stacking energy: -144.871
Base-Backbone interact. energy: -0.121
local terms energy: -181.758090
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -48.844
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: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -500.475337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.475337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.475337 (E_RNA)
where:
Base-Base interactions energy: -349.529
where: short stacking energy: -138.118
Base-Backbone interact. energy: -2.938
local terms energy: -148.008137
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -42.330
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: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -442.270221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.270221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.270221 (E_RNA)
where:
Base-Base interactions energy: -281.158
where: short stacking energy: -125.651
Base-Backbone interact. energy: -0.162
local terms energy: -160.950283
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -42.043
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: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -343.044007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.044007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.044007 (E_RNA)
where:
Base-Base interactions energy: -207.028
where: short stacking energy: -108.696
Base-Backbone interact. energy: 1.556
local terms energy: -137.571445
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -26.929
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: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -251.477455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.477455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.477455 (E_RNA)
where:
Base-Base interactions energy: -134.276
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.253
local terms energy: -116.948633
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -26.637
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -14.614
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: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -150.121604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.121604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.121604 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -50.111
Base-Backbone interact. energy: -0.864
local terms energy: -99.147142
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -135.216975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.216975 (E_RNA)
where:
Base-Base interactions energy: -44.606
where: short stacking energy: -44.606
Base-Backbone interact. energy: -0.437
local terms energy: -90.173340
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: 2.987
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: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -551.210305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.210305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.210305 (E_RNA)
where:
Base-Base interactions energy: -372.432
where: short stacking energy: -160.671
Base-Backbone interact. energy: -0.744
local terms energy: -178.034309
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -48.080
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -535.412947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.412947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.412947 (E_RNA)
where:
Base-Base interactions energy: -368.258
where: short stacking energy: -163.952
Base-Backbone interact. energy: -0.170
local terms energy: -166.985516
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -45.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -528.216072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.216072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.216072 (E_RNA)
where:
Base-Base interactions energy: -361.107
where: short stacking energy: -151.992
Base-Backbone interact. energy: -0.190
local terms energy: -166.918957
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -34.819
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: -50.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -521.283689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.283689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.283689 (E_RNA)
where:
Base-Base interactions energy: -359.174
where: short stacking energy: -147.144
Base-Backbone interact. energy: -0.082
local terms energy: -162.027638
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -46.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -501.935744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.935744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.935744 (E_RNA)
where:
Base-Base interactions energy: -336.148
where: short stacking energy: -144.748
Base-Backbone interact. energy: -0.337
local terms energy: -165.450167
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -50.097
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: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -447.956926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.956926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.956926 (E_RNA)
where:
Base-Base interactions energy: -305.348
where: short stacking energy: -127.474
Base-Backbone interact. energy: -0.372
local terms energy: -142.237031
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -34.238
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: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -341.541225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.541225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.541225 (E_RNA)
where:
Base-Base interactions energy: -212.576
where: short stacking energy: -96.349
Base-Backbone interact. energy: -0.222
local terms energy: -128.743185
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -27.594
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: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -255.678462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.678462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.678462 (E_RNA)
where:
Base-Base interactions energy: -140.882
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.368
local terms energy: -114.428633
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -186.145320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.145320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.145320 (E_RNA)
where:
Base-Base interactions energy: -86.858
where: short stacking energy: -45.641
Base-Backbone interact. energy: 0.979
local terms energy: -100.266657
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -0.742
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: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -150.576991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.576991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.576991 (E_RNA)
where:
Base-Base interactions energy: -58.074
where: short stacking energy: -49.623
Base-Backbone interact. energy: 2.708
local terms energy: -95.211862
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -25.740
flat angles P-C4'-P energy: -2.765
tors. eta vs tors. theta energy: -5.801
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: 319
Temperature: 0.900000
Total energy: -554.577265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.577265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.577265 (E_RNA)
where:
Base-Base interactions energy: -369.650
where: short stacking energy: -157.747
Base-Backbone interact. energy: -0.297
local terms energy: -184.629658
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -48.991
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: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -549.163183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.163183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.163183 (E_RNA)
where:
Base-Base interactions energy: -371.441
where: short stacking energy: -151.813
Base-Backbone interact. energy: 0.419
local terms energy: -178.140673
where:
bonds (distance) C4'-P energy: -33.456
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -45.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -536.189301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.189301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.189301 (E_RNA)
where:
Base-Base interactions energy: -368.345
where: short stacking energy: -152.169
Base-Backbone interact. energy: -0.069
local terms energy: -167.774789
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -33.500
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -46.400
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: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -497.678524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.678524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.678524 (E_RNA)
where:
Base-Base interactions energy: -334.980
where: short stacking energy: -144.364
Base-Backbone interact. energy: -0.814
local terms energy: -161.884394
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -34.612
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -44.814
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: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -498.497430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.497430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.497430 (E_RNA)
where:
Base-Base interactions energy: -345.380
where: short stacking energy: -130.637
Base-Backbone interact. energy: 0.746
local terms energy: -153.863893
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -42.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -466.287186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.287186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.287186 (E_RNA)
where:
Base-Base interactions energy: -302.395
where: short stacking energy: -144.524
Base-Backbone interact. energy: -0.027
local terms energy: -163.865623
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: -46.661
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: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -334.627362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.627362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.627362 (E_RNA)
where:
Base-Base interactions energy: -220.310
where: short stacking energy: -111.045
Base-Backbone interact. energy: -0.974
local terms energy: -113.342988
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -35.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -266.360256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.360256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.360256 (E_RNA)
where:
Base-Base interactions energy: -142.937
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.103
local terms energy: -123.320644
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -11.953
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: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -161.559185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.559185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.559185 (E_RNA)
where:
Base-Base interactions energy: -67.617
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.416
local terms energy: -93.525897
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -3.011
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: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -146.190083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.190083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.190083 (E_RNA)
where:
Base-Base interactions energy: -37.739
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.299
local terms energy: -108.151937
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -550.727958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.727958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.727958 (E_RNA)
where:
Base-Base interactions energy: -379.354
where: short stacking energy: -159.893
Base-Backbone interact. energy: -0.433
local terms energy: -170.941100
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -36.094
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -46.277
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: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -537.350524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.350524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.350524 (E_RNA)
where:
Base-Base interactions energy: -360.617
where: short stacking energy: -163.047
Base-Backbone interact. energy: -0.796
local terms energy: -175.937601
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -40.199
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -44.232
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: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -539.455558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.455558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.455558 (E_RNA)
where:
Base-Base interactions energy: -363.039
where: short stacking energy: -162.129
Base-Backbone interact. energy: -0.072
local terms energy: -176.344607
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -52.162
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: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -517.966247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.966247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.966247 (E_RNA)
where:
Base-Base interactions energy: -336.951
where: short stacking energy: -157.305
Base-Backbone interact. energy: -0.256
local terms energy: -180.759911
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -38.668
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -49.550
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: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -474.888788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.888788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.888788 (E_RNA)
where:
Base-Base interactions energy: -305.890
where: short stacking energy: -128.860
Base-Backbone interact. energy: -0.817
local terms energy: -168.181798
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -33.428
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -44.952
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: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -478.652480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.652480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.652480 (E_RNA)
where:
Base-Base interactions energy: -321.066
where: short stacking energy: -134.867
Base-Backbone interact. energy: 1.415
local terms energy: -159.001558
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -43.817
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: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -350.033970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.033970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.033970 (E_RNA)
where:
Base-Base interactions energy: -214.946
where: short stacking energy: -103.719
Base-Backbone interact. energy: -0.028
local terms energy: -135.060214
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -268.211733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.211733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.211733 (E_RNA)
where:
Base-Base interactions energy: -147.865
where: short stacking energy: -74.127
Base-Backbone interact. energy: -2.369
local terms energy: -117.977486
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -20.450
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: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -157.970495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.970495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.970495 (E_RNA)
where:
Base-Base interactions energy: -54.579
where: short stacking energy: -44.250
Base-Backbone interact. energy: -0.578
local terms energy: -102.813143
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -11.462
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: 320
Temperature: 1.350000
Total energy: -140.995752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.995752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.995752 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -36.936
Base-Backbone interact. energy: -0.580
local terms energy: -96.735374
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: 3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -545.079602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.079602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.079602 (E_RNA)
where:
Base-Base interactions energy: -365.571
where: short stacking energy: -161.769
Base-Backbone interact. energy: -1.169
local terms energy: -178.339333
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -37.358
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -51.222
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: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -550.053164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.053164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.053164 (E_RNA)
where:
Base-Base interactions energy: -367.254
where: short stacking energy: -152.612
Base-Backbone interact. energy: -1.325
local terms energy: -181.473594
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -38.962
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -46.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -522.291028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.291028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.291028 (E_RNA)
where:
Base-Base interactions energy: -354.190
where: short stacking energy: -153.532
Base-Backbone interact. energy: -0.985
local terms energy: -167.116000
where:
bonds (distance) C4'-P energy: -33.741
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -36.299
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -39.992
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: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -512.721072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.721072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.721072 (E_RNA)
where:
Base-Base interactions energy: -348.609
where: short stacking energy: -155.083
Base-Backbone interact. energy: 0.340
local terms energy: -164.452290
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -36.927
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -46.604
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: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -488.830534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.830534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.830534 (E_RNA)
where:
Base-Base interactions energy: -323.111
where: short stacking energy: -153.201
Base-Backbone interact. energy: -0.195
local terms energy: -165.524558
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -46.702
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -485.742479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.742479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.742479 (E_RNA)
where:
Base-Base interactions energy: -334.014
where: short stacking energy: -143.888
Base-Backbone interact. energy: -0.291
local terms energy: -151.437492
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -37.970
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -45.061
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: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -344.692468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.692468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.692468 (E_RNA)
where:
Base-Base interactions energy: -213.277
where: short stacking energy: -106.044
Base-Backbone interact. energy: -0.156
local terms energy: -131.259086
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -30.644
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -28.030
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -252.305330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.305330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.305330 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -75.059
Base-Backbone interact. energy: -0.077
local terms energy: -122.303289
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -24.129
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -19.851
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: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -155.167702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.167702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.167702 (E_RNA)
where:
Base-Base interactions energy: -55.820
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.310
local terms energy: -99.038307
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: 5.392
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: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -158.782578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.782578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.782578 (E_RNA)
where:
Base-Base interactions energy: -54.758
where: short stacking energy: -45.265
Base-Backbone interact. energy: -0.603
local terms energy: -103.420836
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -25.255
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: 3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -550.009703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.009703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.009703 (E_RNA)
where:
Base-Base interactions energy: -367.061
where: short stacking energy: -156.320
Base-Backbone interact. energy: -0.066
local terms energy: -182.882032
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -51.928
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: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -541.458669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.458669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.458669 (E_RNA)
where:
Base-Base interactions energy: -361.415
where: short stacking energy: -166.370
Base-Backbone interact. energy: -0.511
local terms energy: -179.532847
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -53.838
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: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -520.013701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.013701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.013701 (E_RNA)
where:
Base-Base interactions energy: -353.345
where: short stacking energy: -147.529
Base-Backbone interact. energy: -0.254
local terms energy: -166.414150
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -43.657
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: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -508.411997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.411997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.411997 (E_RNA)
where:
Base-Base interactions energy: -342.267
where: short stacking energy: -143.861
Base-Backbone interact. energy: -1.884
local terms energy: -164.260786
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -39.826
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: 322
Temperature: 1.100000
Total energy: -498.482411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.482411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.482411 (E_RNA)
where:
Base-Base interactions energy: -343.426
where: short stacking energy: -141.457
Base-Backbone interact. energy: 0.332
local terms energy: -155.388808
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -42.036
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: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -469.335938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.335938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.335938 (E_RNA)
where:
Base-Base interactions energy: -309.874
where: short stacking energy: -142.387
Base-Backbone interact. energy: -0.427
local terms energy: -159.035286
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -47.193
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: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -320.952810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.952810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.952810 (E_RNA)
where:
Base-Base interactions energy: -190.573
where: short stacking energy: -89.265
Base-Backbone interact. energy: 0.019
local terms energy: -130.398166
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -266.196661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.196661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.196661 (E_RNA)
where:
Base-Base interactions energy: -157.565
where: short stacking energy: -79.240
Base-Backbone interact. energy: -0.236
local terms energy: -108.395934
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -158.991266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.991266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.991266 (E_RNA)
where:
Base-Base interactions energy: -61.690
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.816
local terms energy: -96.485359
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -5.117
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: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -142.176303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.176303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.176303 (E_RNA)
where:
Base-Base interactions energy: -52.686
where: short stacking energy: -41.421
Base-Backbone interact. energy: 0.403
local terms energy: -89.893149
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: 2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -563.625379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.625379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.625379 (E_RNA)
where:
Base-Base interactions energy: -392.151
where: short stacking energy: -162.026
Base-Backbone interact. energy: -0.248
local terms energy: -171.226884
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -34.356
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -45.001
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: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -558.925251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.925251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.925251 (E_RNA)
where:
Base-Base interactions energy: -378.682
where: short stacking energy: -154.289
Base-Backbone interact. energy: -0.640
local terms energy: -179.603170
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -38.075
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -49.725
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: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -526.658556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.658556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.658556 (E_RNA)
where:
Base-Base interactions energy: -364.040
where: short stacking energy: -149.631
Base-Backbone interact. energy: -0.515
local terms energy: -162.104028
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -47.210
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -532.091927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.091927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.091927 (E_RNA)
where:
Base-Base interactions energy: -369.338
where: short stacking energy: -149.929
Base-Backbone interact. energy: -0.023
local terms energy: -162.730875
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -50.997
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: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -505.251244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.251244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.251244 (E_RNA)
where:
Base-Base interactions energy: -347.430
where: short stacking energy: -148.750
Base-Backbone interact. energy: -0.174
local terms energy: -157.647079
where:
bonds (distance) C4'-P energy: -35.333
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -26.231
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -44.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -474.996474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.996474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.996474 (E_RNA)
where:
Base-Base interactions energy: -318.974
where: short stacking energy: -141.131
Base-Backbone interact. energy: -0.199
local terms energy: -155.823865
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -38.381
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -42.140
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: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -340.400484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.400484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.400484 (E_RNA)
where:
Base-Base interactions energy: -207.240
where: short stacking energy: -95.942
Base-Backbone interact. energy: -0.946
local terms energy: -132.215223
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -268.478630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.478630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.478630 (E_RNA)
where:
Base-Base interactions energy: -151.265
where: short stacking energy: -80.123
Base-Backbone interact. energy: -1.319
local terms energy: -115.895231
where:
bonds (distance) C4'-P energy: -33.294
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -20.802
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -162.761568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.761568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.761568 (E_RNA)
where:
Base-Base interactions energy: -72.437
where: short stacking energy: -40.797
Base-Backbone interact. energy: 0.290
local terms energy: -90.614532
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -2.883
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: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -141.247973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.247973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.247973 (E_RNA)
where:
Base-Base interactions energy: -54.351
where: short stacking energy: -39.184
Base-Backbone interact. energy: 0.675
local terms energy: -87.571626
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: 5.725
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: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -575.832774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.832774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.832774 (E_RNA)
where:
Base-Base interactions energy: -394.386
where: short stacking energy: -157.790
Base-Backbone interact. energy: -0.173
local terms energy: -181.273721
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -51.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -535.840602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.840602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.840602 (E_RNA)
where:
Base-Base interactions energy: -353.471
where: short stacking energy: -157.608
Base-Backbone interact. energy: -0.345
local terms energy: -182.024374
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -52.429
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: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -530.621476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.621476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.621476 (E_RNA)
where:
Base-Base interactions energy: -372.024
where: short stacking energy: -147.457
Base-Backbone interact. energy: -0.554
local terms energy: -158.042773
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -34.326
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -46.417
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: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -495.776371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.776371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.776371 (E_RNA)
where:
Base-Base interactions energy: -348.489
where: short stacking energy: -139.452
Base-Backbone interact. energy: -0.222
local terms energy: -147.065505
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -36.781
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: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -507.401910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.401910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.401910 (E_RNA)
where:
Base-Base interactions energy: -350.979
where: short stacking energy: -143.219
Base-Backbone interact. energy: -0.876
local terms energy: -155.546482
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -43.536
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: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -444.190543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.190543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.190543 (E_RNA)
where:
Base-Base interactions energy: -288.838
where: short stacking energy: -119.445
Base-Backbone interact. energy: -0.814
local terms energy: -154.538908
where:
bonds (distance) C4'-P energy: -33.090
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -39.429
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: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -343.779961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.779961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.779961 (E_RNA)
where:
Base-Base interactions energy: -214.269
where: short stacking energy: -105.242
Base-Backbone interact. energy: -1.121
local terms energy: -128.390313
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -30.840
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -22.498
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: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -236.969224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.969224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.969224 (E_RNA)
where:
Base-Base interactions energy: -118.340
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.115
local terms energy: -118.514247
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -13.202
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: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -147.464244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.464244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.464244 (E_RNA)
where:
Base-Base interactions energy: -53.719
where: short stacking energy: -30.260
Base-Backbone interact. energy: -0.476
local terms energy: -93.268770
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: 9.095
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: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -147.179867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.179867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.179867 (E_RNA)
where:
Base-Base interactions energy: -50.987
where: short stacking energy: -48.521
Base-Backbone interact. energy: -1.763
local terms energy: -94.429769
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -16.497
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: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -549.794522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.794522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.794522 (E_RNA)
where:
Base-Base interactions energy: -379.490
where: short stacking energy: -156.980
Base-Backbone interact. energy: -0.367
local terms energy: -169.936745
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -49.531
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: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -548.554587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.554587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.554587 (E_RNA)
where:
Base-Base interactions energy: -372.511
where: short stacking energy: -155.004
Base-Backbone interact. energy: -2.368
local terms energy: -173.676122
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -46.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -526.938215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.938215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.938215 (E_RNA)
where:
Base-Base interactions energy: -356.863
where: short stacking energy: -154.528
Base-Backbone interact. energy: -0.824
local terms energy: -169.251056
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -46.936
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: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -504.106545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.106545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.106545 (E_RNA)
where:
Base-Base interactions energy: -347.327
where: short stacking energy: -159.080
Base-Backbone interact. energy: 2.862
local terms energy: -159.641949
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -49.080
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: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -491.866789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.866789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.866789 (E_RNA)
where:
Base-Base interactions energy: -343.616
where: short stacking energy: -136.308
Base-Backbone interact. energy: -0.261
local terms energy: -147.989665
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -15.151
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: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -444.858762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.858762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.858762 (E_RNA)
where:
Base-Base interactions energy: -280.889
where: short stacking energy: -131.589
Base-Backbone interact. energy: -0.221
local terms energy: -163.748239
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -40.573
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: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -359.334814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.334814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.334814 (E_RNA)
where:
Base-Base interactions energy: -212.360
where: short stacking energy: -96.215
Base-Backbone interact. energy: -0.153
local terms energy: -146.821324
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -40.821
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -24.726
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: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -239.544167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.544167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.544167 (E_RNA)
where:
Base-Base interactions energy: -134.625
where: short stacking energy: -77.219
Base-Backbone interact. energy: -0.241
local terms energy: -104.678197
where:
bonds (distance) C4'-P energy: -35.123
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -13.762
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: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -165.701729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.701729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.701729 (E_RNA)
where:
Base-Base interactions energy: -65.650
where: short stacking energy: -50.882
Base-Backbone interact. energy: -0.668
local terms energy: -99.383451
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -1.620
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: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -150.233281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.233281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.233281 (E_RNA)
where:
Base-Base interactions energy: -52.409
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.603
local terms energy: -97.221129
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -34.455
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: 3.281
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: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -564.550304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.550304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.550304 (E_RNA)
where:
Base-Base interactions energy: -379.879
where: short stacking energy: -153.822
Base-Backbone interact. energy: -1.029
local terms energy: -183.641747
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -38.186
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -49.290
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: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -533.738762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.738762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.738762 (E_RNA)
where:
Base-Base interactions energy: -364.277
where: short stacking energy: -158.171
Base-Backbone interact. energy: -0.494
local terms energy: -168.967907
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -35.432
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -48.806
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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -522.687999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.687999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.687999 (E_RNA)
where:
Base-Base interactions energy: -368.540
where: short stacking energy: -148.130
Base-Backbone interact. energy: -0.433
local terms energy: -153.714716
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -42.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -506.630895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.630895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.630895 (E_RNA)
where:
Base-Base interactions energy: -342.091
where: short stacking energy: -142.256
Base-Backbone interact. energy: -0.303
local terms energy: -164.237024
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -36.571
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -39.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -499.187735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.187735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.187735 (E_RNA)
where:
Base-Base interactions energy: -338.769
where: short stacking energy: -134.174
Base-Backbone interact. energy: -0.431
local terms energy: -159.988114
where:
bonds (distance) C4'-P energy: -31.223
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -38.117
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -32.922
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: 326
Temperature: 1.150000
Total energy: -463.397243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.397243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.397243 (E_RNA)
where:
Base-Base interactions energy: -303.575
where: short stacking energy: -144.793
Base-Backbone interact. energy: -0.753
local terms energy: -159.069950
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -42.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -365.156512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.156512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.156512 (E_RNA)
where:
Base-Base interactions energy: -217.118
where: short stacking energy: -111.715
Base-Backbone interact. energy: -0.156
local terms energy: -147.883007
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -30.968
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: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -236.901054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.901054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.901054 (E_RNA)
where:
Base-Base interactions energy: -122.636
where: short stacking energy: -70.070
Base-Backbone interact. energy: -0.699
local terms energy: -113.566412
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -12.012
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: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -159.731649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.731649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.731649 (E_RNA)
where:
Base-Base interactions energy: -56.316
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.301
local terms energy: -103.114384
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -16.713
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: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -147.076821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.076821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.076821 (E_RNA)
where:
Base-Base interactions energy: -49.907
where: short stacking energy: -40.596
Base-Backbone interact. energy: 0.265
local terms energy: -97.435196
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -20.680
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: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -557.945280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.945280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.945280 (E_RNA)
where:
Base-Base interactions energy: -390.466
where: short stacking energy: -169.624
Base-Backbone interact. energy: 1.476
local terms energy: -168.954857
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -51.773
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: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -530.409449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.409449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.409449 (E_RNA)
where:
Base-Base interactions energy: -358.122
where: short stacking energy: -140.944
Base-Backbone interact. energy: 0.293
local terms energy: -172.581285
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -38.872
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -44.250
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: 327
Temperature: 1.000000
Total energy: -521.134622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.134622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.134622 (E_RNA)
where:
Base-Base interactions energy: -363.420
where: short stacking energy: -156.326
Base-Backbone interact. energy: -0.015
local terms energy: -157.699845
where:
bonds (distance) C4'-P energy: -27.350
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -46.676
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: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -519.658574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.658574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.658574 (E_RNA)
where:
Base-Base interactions energy: -359.697
where: short stacking energy: -162.463
Base-Backbone interact. energy: -0.447
local terms energy: -159.514770
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -48.589
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -514.769002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.769002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.769002 (E_RNA)
where:
Base-Base interactions energy: -349.456
where: short stacking energy: -141.057
Base-Backbone interact. energy: -0.975
local terms energy: -164.337798
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -36.202
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -46.514
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: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -452.779497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.779497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.779497 (E_RNA)
where:
Base-Base interactions energy: -297.018
where: short stacking energy: -128.930
Base-Backbone interact. energy: -0.162
local terms energy: -155.599959
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -43.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -348.443960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.443960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.443960 (E_RNA)
where:
Base-Base interactions energy: -213.298
where: short stacking energy: -110.256
Base-Backbone interact. energy: -0.156
local terms energy: -134.989668
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -32.089
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: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -247.736690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.736690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.736690 (E_RNA)
where:
Base-Base interactions energy: -135.467
where: short stacking energy: -64.816
Base-Backbone interact. energy: -0.366
local terms energy: -111.903718
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -5.952
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -179.866381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.866381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.866381 (E_RNA)
where:
Base-Base interactions energy: -83.088
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.310
local terms energy: -96.468702
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -11.036
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: 327
Temperature: 1.350000
Total energy: -151.350259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.350259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.350259 (E_RNA)
where:
Base-Base interactions energy: -65.921
where: short stacking energy: -46.289
Base-Backbone interact. energy: 1.361
local terms energy: -86.790445
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: 3.906
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: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -561.566179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.566179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.566179 (E_RNA)
where:
Base-Base interactions energy: -388.686
where: short stacking energy: -156.896
Base-Backbone interact. energy: -0.749
local terms energy: -172.130261
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -53.483
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: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -542.670209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.670209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.670209 (E_RNA)
where:
Base-Base interactions energy: -369.214
where: short stacking energy: -155.243
Base-Backbone interact. energy: -0.595
local terms energy: -172.860909
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -51.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -527.444955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.444955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.444955 (E_RNA)
where:
Base-Base interactions energy: -347.353
where: short stacking energy: -155.211
Base-Backbone interact. energy: -2.151
local terms energy: -177.940961
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -506.625945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.625945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.625945 (E_RNA)
where:
Base-Base interactions energy: -344.288
where: short stacking energy: -139.341
Base-Backbone interact. energy: 0.355
local terms energy: -162.693143
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -20.427
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: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -514.507914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.507914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.507914 (E_RNA)
where:
Base-Base interactions energy: -352.980
where: short stacking energy: -149.148
Base-Backbone interact. energy: -0.072
local terms energy: -161.455803
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -50.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -452.426638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.426638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.426638 (E_RNA)
where:
Base-Base interactions energy: -295.905
where: short stacking energy: -139.458
Base-Backbone interact. energy: -0.071
local terms energy: -156.451077
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -40.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -355.409685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.409685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.409685 (E_RNA)
where:
Base-Base interactions energy: -219.050
where: short stacking energy: -110.434
Base-Backbone interact. energy: -0.244
local terms energy: -136.115864
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -30.249
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -250.968910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.968910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.968910 (E_RNA)
where:
Base-Base interactions energy: -129.232
where: short stacking energy: -75.575
Base-Backbone interact. energy: -0.405
local terms energy: -121.332478
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -160.349319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.349319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.349319 (E_RNA)
where:
Base-Base interactions energy: -68.554
where: short stacking energy: -41.517
Base-Backbone interact. energy: 1.330
local terms energy: -93.125199
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: 7.156
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: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -140.100245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.100245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.100245 (E_RNA)
where:
Base-Base interactions energy: -55.042
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.788
local terms energy: -84.270502
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: 5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -555.947472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.947472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.947472 (E_RNA)
where:
Base-Base interactions energy: -380.898
where: short stacking energy: -163.420
Base-Backbone interact. energy: -0.069
local terms energy: -174.981444
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -49.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -551.072221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.072221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.072221 (E_RNA)
where:
Base-Base interactions energy: -374.615
where: short stacking energy: -164.340
Base-Backbone interact. energy: 0.735
local terms energy: -177.192023
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -38.638
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -48.663
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: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -520.853970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.853970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.853970 (E_RNA)
where:
Base-Base interactions energy: -349.333
where: short stacking energy: -156.403
Base-Backbone interact. energy: -0.414
local terms energy: -171.107460
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -35.163
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -48.874
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: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -533.800500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.800500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.800500 (E_RNA)
where:
Base-Base interactions energy: -359.059
where: short stacking energy: -151.705
Base-Backbone interact. energy: 1.590
local terms energy: -176.331262
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -48.882
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: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -510.960354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.960354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.960354 (E_RNA)
where:
Base-Base interactions energy: -350.534
where: short stacking energy: -144.918
Base-Backbone interact. energy: -0.115
local terms energy: -160.311744
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -41.854
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: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -445.520127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.520127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.520127 (E_RNA)
where:
Base-Base interactions energy: -291.299
where: short stacking energy: -126.671
Base-Backbone interact. energy: -0.226
local terms energy: -153.995022
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -35.248
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -38.172
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: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -326.805952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.805952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.805952 (E_RNA)
where:
Base-Base interactions energy: -195.705
where: short stacking energy: -101.760
Base-Backbone interact. energy: -0.651
local terms energy: -130.449817
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -24.351
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -239.969506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.969506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.969506 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.450
local terms energy: -110.547088
where:
bonds (distance) C4'-P energy: -28.701
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -5.535
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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -190.016894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.016894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.016894 (E_RNA)
where:
Base-Base interactions energy: -95.655
where: short stacking energy: -46.349
Base-Backbone interact. energy: -0.874
local terms energy: -93.487079
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -5.167
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: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -158.755214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.755214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.755214 (E_RNA)
where:
Base-Base interactions energy: -64.589
where: short stacking energy: -52.692
Base-Backbone interact. energy: 0.286
local terms energy: -94.452067
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: 3.798
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: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -544.329547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.329547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.329547 (E_RNA)
where:
Base-Base interactions energy: -360.991
where: short stacking energy: -158.031
Base-Backbone interact. energy: -1.395
local terms energy: -181.943800
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -50.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -546.951153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.951153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.951153 (E_RNA)
where:
Base-Base interactions energy: -372.875
where: short stacking energy: -163.055
Base-Backbone interact. energy: -0.203
local terms energy: -173.872817
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -29.590
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -54.228
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -528.183251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.183251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.183251 (E_RNA)
where:
Base-Base interactions energy: -354.306
where: short stacking energy: -158.440
Base-Backbone interact. energy: -0.392
local terms energy: -173.484675
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -37.109
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -50.103
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -510.911743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.911743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.911743 (E_RNA)
where:
Base-Base interactions energy: -342.280
where: short stacking energy: -153.581
Base-Backbone interact. energy: -0.690
local terms energy: -167.942144
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -45.037
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: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -475.912265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.912265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.912265 (E_RNA)
where:
Base-Base interactions energy: -300.679
where: short stacking energy: -140.431
Base-Backbone interact. energy: -0.029
local terms energy: -175.203921
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -37.352
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -485.710562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.710562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.710562 (E_RNA)
where:
Base-Base interactions energy: -335.282
where: short stacking energy: -140.208
Base-Backbone interact. energy: -0.431
local terms energy: -149.997201
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -39.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -358.435027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.435027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.435027 (E_RNA)
where:
Base-Base interactions energy: -225.151
where: short stacking energy: -102.318
Base-Backbone interact. energy: 1.332
local terms energy: -134.616076
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -29.011
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: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -248.860366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.860366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.860366 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -73.415
Base-Backbone interact. energy: -2.129
local terms energy: -110.452658
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -164.259857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.259857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.259857 (E_RNA)
where:
Base-Base interactions energy: -64.456
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.247
local terms energy: -99.556051
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: 3.778
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: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -132.722895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.722895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.722895 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -46.387
Base-Backbone interact. energy: 0.369
local terms energy: -85.921638
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -0.432
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: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -558.233058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.233058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.233058 (E_RNA)
where:
Base-Base interactions energy: -390.855
where: short stacking energy: -157.546
Base-Backbone interact. energy: -0.620
local terms energy: -166.757848
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -27.091
tors. eta vs tors. theta energy: -49.325
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: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -546.865594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.865594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.865594 (E_RNA)
where:
Base-Base interactions energy: -376.930
where: short stacking energy: -161.772
Base-Backbone interact. energy: -0.241
local terms energy: -169.694900
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -49.729
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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -535.080592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.080592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.080592 (E_RNA)
where:
Base-Base interactions energy: -363.569
where: short stacking energy: -160.973
Base-Backbone interact. energy: -0.639
local terms energy: -170.872616
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -51.962
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: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -518.044667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.044667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.044667 (E_RNA)
where:
Base-Base interactions energy: -350.460
where: short stacking energy: -151.564
Base-Backbone interact. energy: -0.351
local terms energy: -167.233929
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -30.805
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -46.057
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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -468.440616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.440616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.440616 (E_RNA)
where:
Base-Base interactions energy: -318.507
where: short stacking energy: -146.939
Base-Backbone interact. energy: -0.297
local terms energy: -149.635922
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -494.099764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.099764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.099764 (E_RNA)
where:
Base-Base interactions energy: -336.696
where: short stacking energy: -143.652
Base-Backbone interact. energy: -0.733
local terms energy: -156.670571
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -33.994
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -42.355
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: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -337.531151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.531151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.531151 (E_RNA)
where:
Base-Base interactions energy: -213.563
where: short stacking energy: -110.277
Base-Backbone interact. energy: 3.994
local terms energy: -127.961488
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -28.320
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: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -245.327935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.327935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.327935 (E_RNA)
where:
Base-Base interactions energy: -134.675
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.270
local terms energy: -110.382883
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -13.719
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: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -141.880551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.880551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.880551 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -40.386
Base-Backbone interact. energy: -0.545
local terms energy: -98.456489
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -128.031348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.031348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.031348 (E_RNA)
where:
Base-Base interactions energy: -51.446
where: short stacking energy: -33.418
Base-Backbone interact. energy: -1.303
local terms energy: -75.282349
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: 1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -546.472210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.472210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.472210 (E_RNA)
where:
Base-Base interactions energy: -375.238
where: short stacking energy: -151.774
Base-Backbone interact. energy: -1.243
local terms energy: -169.991167
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -49.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -552.219224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.219224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.219224 (E_RNA)
where:
Base-Base interactions energy: -387.150
where: short stacking energy: -155.973
Base-Backbone interact. energy: -0.207
local terms energy: -164.861682
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -39.448
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -47.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -540.008364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.008364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.008364 (E_RNA)
where:
Base-Base interactions energy: -363.763
where: short stacking energy: -142.726
Base-Backbone interact. energy: -0.589
local terms energy: -175.656317
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -45.653
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: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -512.848054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.848054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.848054 (E_RNA)
where:
Base-Base interactions energy: -341.350
where: short stacking energy: -147.212
Base-Backbone interact. energy: -0.024
local terms energy: -171.473606
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -36.713
flat angles C4'-P-C4' energy: -37.154
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -45.633
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: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -506.042132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.042132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.042132 (E_RNA)
where:
Base-Base interactions energy: -342.462
where: short stacking energy: -144.743
Base-Backbone interact. energy: -0.301
local terms energy: -163.279208
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -31.608
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -42.674
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: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -448.348456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.348456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.348456 (E_RNA)
where:
Base-Base interactions energy: -288.519
where: short stacking energy: -122.980
Base-Backbone interact. energy: -0.417
local terms energy: -159.413123
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -35.057
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -40.276
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: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -323.145869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.145869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.145869 (E_RNA)
where:
Base-Base interactions energy: -212.364
where: short stacking energy: -87.446
Base-Backbone interact. energy: 0.491
local terms energy: -111.272791
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -20.031
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: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -268.241378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.241378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.241378 (E_RNA)
where:
Base-Base interactions energy: -155.277
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.407
local terms energy: -112.556682
where:
bonds (distance) C4'-P energy: -25.762
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -5.870
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: 332
Temperature: 1.300000
Total energy: -165.584026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.584026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.584026 (E_RNA)
where:
Base-Base interactions energy: -61.434
where: short stacking energy: -61.369
Base-Backbone interact. energy: -0.707
local terms energy: -103.442929
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -9.838
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: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -151.242753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.242753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.242753 (E_RNA)
where:
Base-Base interactions energy: -49.921
where: short stacking energy: -48.056
Base-Backbone interact. energy: -1.219
local terms energy: -100.102718
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -5.836
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -553.668385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.668385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.668385 (E_RNA)
where:
Base-Base interactions energy: -388.987
where: short stacking energy: -150.791
Base-Backbone interact. energy: -0.172
local terms energy: -164.509977
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -40.042
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: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -547.327285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.327285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.327285 (E_RNA)
where:
Base-Base interactions energy: -383.488
where: short stacking energy: -157.179
Base-Backbone interact. energy: -0.916
local terms energy: -162.922811
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -43.391
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -532.719196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.719196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.719196 (E_RNA)
where:
Base-Base interactions energy: -367.168
where: short stacking energy: -148.108
Base-Backbone interact. energy: -0.123
local terms energy: -165.428959
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -45.340
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: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -508.644463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.644463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.644463 (E_RNA)
where:
Base-Base interactions energy: -346.677
where: short stacking energy: -143.175
Base-Backbone interact. energy: -1.480
local terms energy: -160.487491
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -46.935
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: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -527.720544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.720544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.720544 (E_RNA)
where:
Base-Base interactions energy: -356.923
where: short stacking energy: -162.510
Base-Backbone interact. energy: -0.204
local terms energy: -170.593262
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -48.916
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: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -470.622257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.622257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.622257 (E_RNA)
where:
Base-Base interactions energy: -319.411
where: short stacking energy: -139.127
Base-Backbone interact. energy: -0.415
local terms energy: -150.796090
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -44.263
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: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -358.181621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.181621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.181621 (E_RNA)
where:
Base-Base interactions energy: -216.260
where: short stacking energy: -104.288
Base-Backbone interact. energy: -0.207
local terms energy: -141.715084
where:
bonds (distance) C4'-P energy: -32.584
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -30.649
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -254.082237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.082237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.082237 (E_RNA)
where:
Base-Base interactions energy: -136.851
where: short stacking energy: -75.280
Base-Backbone interact. energy: -1.205
local terms energy: -116.025453
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -31.423
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -18.662
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: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -153.922134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.922134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.922134 (E_RNA)
where:
Base-Base interactions energy: -48.936
where: short stacking energy: -36.262
Base-Backbone interact. energy: 0.575
local terms energy: -105.561149
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: 3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -144.576692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.576692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.576692 (E_RNA)
where:
Base-Base interactions energy: -54.564
where: short stacking energy: -33.507
Base-Backbone interact. energy: -1.129
local terms energy: -88.884000
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -555.854968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.854968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.854968 (E_RNA)
where:
Base-Base interactions energy: -382.770
where: short stacking energy: -155.288
Base-Backbone interact. energy: -2.035
local terms energy: -171.049813
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -44.061
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: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -543.115539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.115539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.115539 (E_RNA)
where:
Base-Base interactions energy: -363.093
where: short stacking energy: -157.558
Base-Backbone interact. energy: -1.384
local terms energy: -178.638091
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -45.868
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: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -509.096562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.096562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.096562 (E_RNA)
where:
Base-Base interactions energy: -338.456
where: short stacking energy: -145.770
Base-Backbone interact. energy: -0.716
local terms energy: -169.924771
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -33.131
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -19.391
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: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -519.379013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.379013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.379013 (E_RNA)
where:
Base-Base interactions energy: -363.184
where: short stacking energy: -162.377
Base-Backbone interact. energy: -0.737
local terms energy: -155.457525
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -37.753
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -46.865
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: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -499.526192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.526192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.526192 (E_RNA)
where:
Base-Base interactions energy: -330.380
where: short stacking energy: -135.991
Base-Backbone interact. energy: -0.800
local terms energy: -168.346155
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -28.868
tors. eta vs tors. theta energy: -48.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -458.535194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.535194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.535194 (E_RNA)
where:
Base-Base interactions energy: -299.978
where: short stacking energy: -127.342
Base-Backbone interact. energy: -0.298
local terms energy: -158.259285
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -27.611
tors. eta vs tors. theta energy: -41.737
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: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -367.934849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.934849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.934849 (E_RNA)
where:
Base-Base interactions energy: -230.108
where: short stacking energy: -116.970
Base-Backbone interact. energy: -0.066
local terms energy: -137.760700
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -30.595
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -29.757
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: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -275.714576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.714576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.714576 (E_RNA)
where:
Base-Base interactions energy: -143.809
where: short stacking energy: -81.417
Base-Backbone interact. energy: 0.289
local terms energy: -132.194435
where:
bonds (distance) C4'-P energy: -32.622
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -152.526911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.526911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.526911 (E_RNA)
where:
Base-Base interactions energy: -56.415
where: short stacking energy: -43.925
Base-Backbone interact. energy: -0.805
local terms energy: -95.307191
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -27.407
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: 1.791
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: 334
Temperature: 1.350000
Total energy: -144.579638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.579638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.579638 (E_RNA)
where:
Base-Base interactions energy: -48.310
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.623
local terms energy: -95.646694
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: 3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -564.970780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.970780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.970780 (E_RNA)
where:
Base-Base interactions energy: -388.256
where: short stacking energy: -162.046
Base-Backbone interact. energy: -0.282
local terms energy: -176.432216
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -46.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -520.024161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.024161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.024161 (E_RNA)
where:
Base-Base interactions energy: -353.378
where: short stacking energy: -138.412
Base-Backbone interact. energy: -1.114
local terms energy: -165.532231
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -41.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -534.308769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.308769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.308769 (E_RNA)
where:
Base-Base interactions energy: -369.825
where: short stacking energy: -152.427
Base-Backbone interact. energy: -0.519
local terms energy: -163.964777
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -38.368
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -520.344732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.344732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.344732 (E_RNA)
where:
Base-Base interactions energy: -360.605
where: short stacking energy: -148.645
Base-Backbone interact. energy: -0.285
local terms energy: -159.454215
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -45.283
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: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -498.960532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.960532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.960532 (E_RNA)
where:
Base-Base interactions energy: -343.926
where: short stacking energy: -142.758
Base-Backbone interact. energy: -0.434
local terms energy: -154.600542
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -24.949
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: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -445.849265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.849265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.849265 (E_RNA)
where:
Base-Base interactions energy: -293.581
where: short stacking energy: -125.996
Base-Backbone interact. energy: 0.539
local terms energy: -152.807894
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -42.676
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: 335
Temperature: 1.200000
Total energy: -370.612915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.612915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.612915 (E_RNA)
where:
Base-Base interactions energy: -231.921
where: short stacking energy: -103.355
Base-Backbone interact. energy: -1.379
local terms energy: -137.313477
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -28.333
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: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -259.426366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.426366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.426366 (E_RNA)
where:
Base-Base interactions energy: -137.965
where: short stacking energy: -74.003
Base-Backbone interact. energy: -2.105
local terms energy: -119.356177
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -13.786
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: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -156.647815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.647815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.647815 (E_RNA)
where:
Base-Base interactions energy: -54.597
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.588
local terms energy: -101.463438
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -4.532
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: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -182.569316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.569316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.569316 (E_RNA)
where:
Base-Base interactions energy: -84.878
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.327
local terms energy: -97.364801
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -556.973226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.973226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.973226 (E_RNA)
where:
Base-Base interactions energy: -380.189
where: short stacking energy: -160.831
Base-Backbone interact. energy: -0.709
local terms energy: -176.075940
where:
bonds (distance) C4'-P energy: -32.243
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -47.820
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -514.159666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.159666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.159666 (E_RNA)
where:
Base-Base interactions energy: -350.023
where: short stacking energy: -153.591
Base-Backbone interact. energy: -1.151
local terms energy: -162.985115
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -39.144
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -40.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -544.854715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.854715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.854715 (E_RNA)
where:
Base-Base interactions energy: -370.259
where: short stacking energy: -162.206
Base-Backbone interact. energy: -0.205
local terms energy: -174.391118
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -52.572
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: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -519.931076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.931076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.931076 (E_RNA)
where:
Base-Base interactions energy: -345.635
where: short stacking energy: -145.009
Base-Backbone interact. energy: -0.332
local terms energy: -173.963937
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -46.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -515.005517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.005517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.005517 (E_RNA)
where:
Base-Base interactions energy: -335.646
where: short stacking energy: -144.275
Base-Backbone interact. energy: -0.393
local terms energy: -178.967067
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -49.447
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: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -423.608681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.608681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.608681 (E_RNA)
where:
Base-Base interactions energy: -285.442
where: short stacking energy: -119.719
Base-Backbone interact. energy: 2.172
local terms energy: -140.338669
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -34.446
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -30.648
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: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -362.100906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.100906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.100906 (E_RNA)
where:
Base-Base interactions energy: -230.120
where: short stacking energy: -108.987
Base-Backbone interact. energy: -0.283
local terms energy: -131.697569
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -32.661
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: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -293.494459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.494459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.494459 (E_RNA)
where:
Base-Base interactions energy: -184.848
where: short stacking energy: -69.721
Base-Backbone interact. energy: -1.029
local terms energy: -107.618037
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -15.183
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -158.559284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.559284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.559284 (E_RNA)
where:
Base-Base interactions energy: -75.703
where: short stacking energy: -50.984
Base-Backbone interact. energy: -0.576
local terms energy: -82.279462
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: 6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -144.391907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.391907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.391907 (E_RNA)
where:
Base-Base interactions energy: -51.545
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.869
local terms energy: -91.977797
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: 0.094
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: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -564.624875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.624875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.624875 (E_RNA)
where:
Base-Base interactions energy: -390.654
where: short stacking energy: -157.191
Base-Backbone interact. energy: -0.441
local terms energy: -173.529818
where:
bonds (distance) C4'-P energy: -33.710
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -50.756
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -545.395763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.395763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.395763 (E_RNA)
where:
Base-Base interactions energy: -364.780
where: short stacking energy: -161.451
Base-Backbone interact. energy: -0.391
local terms energy: -180.224693
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -28.605
tors. eta vs tors. theta energy: -50.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -508.314891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.314891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.314891 (E_RNA)
where:
Base-Base interactions energy: -337.809
where: short stacking energy: -154.018
Base-Backbone interact. energy: -1.779
local terms energy: -168.727045
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -37.168
flat angles C4'-P-C4' energy: -37.418
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -43.797
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: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -524.740687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.740687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.740687 (E_RNA)
where:
Base-Base interactions energy: -357.667
where: short stacking energy: -149.494
Base-Backbone interact. energy: -1.591
local terms energy: -165.482770
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -42.738
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: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -494.772144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.772144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.772144 (E_RNA)
where:
Base-Base interactions energy: -336.782
where: short stacking energy: -133.327
Base-Backbone interact. energy: -0.115
local terms energy: -157.875049
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -40.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -419.657673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.657673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.657673 (E_RNA)
where:
Base-Base interactions energy: -274.510
where: short stacking energy: -116.478
Base-Backbone interact. energy: -0.898
local terms energy: -144.249587
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -38.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -325.211235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.211235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.211235 (E_RNA)
where:
Base-Base interactions energy: -202.470
where: short stacking energy: -83.460
Base-Backbone interact. energy: -0.843
local terms energy: -121.897778
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -311.348855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.348855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.348855 (E_RNA)
where:
Base-Base interactions energy: -190.757
where: short stacking energy: -81.068
Base-Backbone interact. energy: -0.852
local terms energy: -119.739411
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -32.076
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -156.840531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.840531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.840531 (E_RNA)
where:
Base-Base interactions energy: -61.452
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.411
local terms energy: -94.977391
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -143.990587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.990587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.990587 (E_RNA)
where:
Base-Base interactions energy: -59.133
where: short stacking energy: -45.985
Base-Backbone interact. energy: -0.497
local terms energy: -84.360301
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: 3.377
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: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -556.433200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.433200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.433200 (E_RNA)
where:
Base-Base interactions energy: -381.395
where: short stacking energy: -161.332
Base-Backbone interact. energy: -0.161
local terms energy: -174.876474
where:
bonds (distance) C4'-P energy: -30.490
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -55.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -552.418758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.418758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.418758 (E_RNA)
where:
Base-Base interactions energy: -377.630
where: short stacking energy: -151.274
Base-Backbone interact. energy: -0.490
local terms energy: -174.298878
where:
bonds (distance) C4'-P energy: -35.316
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -532.307859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.307859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.307859 (E_RNA)
where:
Base-Base interactions energy: -357.335
where: short stacking energy: -158.587
Base-Backbone interact. energy: -0.137
local terms energy: -174.835199
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -53.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -489.819242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.819242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.819242 (E_RNA)
where:
Base-Base interactions energy: -325.053
where: short stacking energy: -142.048
Base-Backbone interact. energy: 0.669
local terms energy: -165.435369
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -46.320
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: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -487.369742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.369742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.369742 (E_RNA)
where:
Base-Base interactions energy: -332.310
where: short stacking energy: -140.002
Base-Backbone interact. energy: 0.104
local terms energy: -155.164158
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -39.960
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: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -425.300750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.300750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.300750 (E_RNA)
where:
Base-Base interactions energy: -278.167
where: short stacking energy: -115.282
Base-Backbone interact. energy: 0.993
local terms energy: -148.127010
where:
bonds (distance) C4'-P energy: -36.646
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -31.355
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -31.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -299.851607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.851607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.851607 (E_RNA)
where:
Base-Base interactions energy: -174.820
where: short stacking energy: -69.516
Base-Backbone interact. energy: 1.668
local terms energy: -126.699802
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -19.265
tors. eta vs tors. theta energy: -17.281
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: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -328.770433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.770433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.770433 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -106.214
Base-Backbone interact. energy: -1.484
local terms energy: -134.714455
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -30.701
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: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -186.911295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.911295 (E_RNA)
where:
Base-Base interactions energy: -72.377
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.314
local terms energy: -114.220472
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -8.356
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: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -139.367982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.367982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.367982 (E_RNA)
where:
Base-Base interactions energy: -48.104
where: short stacking energy: -39.815
Base-Backbone interact. energy: -1.442
local terms energy: -89.821312
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: 4.844
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: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -553.004057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.004057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.004057 (E_RNA)
where:
Base-Base interactions energy: -390.294
where: short stacking energy: -155.066
Base-Backbone interact. energy: -0.100
local terms energy: -162.609711
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -45.688
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -537.488952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.488952 (E_RNA)
where:
Base-Base interactions energy: -361.372
where: short stacking energy: -154.756
Base-Backbone interact. energy: -1.069
local terms energy: -175.048046
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -55.171
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: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -538.823311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.823311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.823311 (E_RNA)
where:
Base-Base interactions energy: -373.489
where: short stacking energy: -143.033
Base-Backbone interact. energy: -0.326
local terms energy: -165.007991
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -47.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -502.464882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.464882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.464882 (E_RNA)
where:
Base-Base interactions energy: -353.540
where: short stacking energy: -143.083
Base-Backbone interact. energy: -0.021
local terms energy: -148.904164
where:
bonds (distance) C4'-P energy: -24.980
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -39.007
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: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -482.356570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.356570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.356570 (E_RNA)
where:
Base-Base interactions energy: -321.335
where: short stacking energy: -143.804
Base-Backbone interact. energy: -0.130
local terms energy: -160.891913
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -42.697
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: 339
Temperature: 1.150000
Total energy: -451.006656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.006656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.006656 (E_RNA)
where:
Base-Base interactions energy: -286.594
where: short stacking energy: -133.892
Base-Backbone interact. energy: -0.055
local terms energy: -164.357883
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -45.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -267.520643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.520643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.520643 (E_RNA)
where:
Base-Base interactions energy: -157.780
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.964
local terms energy: -108.776770
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -14.855
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: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -282.413602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.413602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.413602 (E_RNA)
where:
Base-Base interactions energy: -165.489
where: short stacking energy: -89.523
Base-Backbone interact. energy: -0.324
local terms energy: -116.601040
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -16.943
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: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -148.716792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.716792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.716792 (E_RNA)
where:
Base-Base interactions energy: -58.539
where: short stacking energy: -50.704
Base-Backbone interact. energy: -0.811
local terms energy: -89.366370
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -152.974654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.974654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.974654 (E_RNA)
where:
Base-Base interactions energy: -54.948
where: short stacking energy: -51.927
Base-Backbone interact. energy: 0.927
local terms energy: -98.953743
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -7.601
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: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -567.532121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.532121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.532121 (E_RNA)
where:
Base-Base interactions energy: -389.901
where: short stacking energy: -155.610
Base-Backbone interact. energy: -0.732
local terms energy: -176.898554
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -34.356
flat angles C4'-P-C4' energy: -39.862
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -47.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -537.179650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.179650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.179650 (E_RNA)
where:
Base-Base interactions energy: -366.729
where: short stacking energy: -159.589
Base-Backbone interact. energy: 0.200
local terms energy: -170.649833
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -48.524
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: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -541.939132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.939132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.939132 (E_RNA)
where:
Base-Base interactions energy: -377.780
where: short stacking energy: -152.045
Base-Backbone interact. energy: -1.454
local terms energy: -162.705486
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: -45.737
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: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -503.305985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.305985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.305985 (E_RNA)
where:
Base-Base interactions energy: -338.748
where: short stacking energy: -129.854
Base-Backbone interact. energy: -0.150
local terms energy: -164.408640
where:
bonds (distance) C4'-P energy: -32.239
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -37.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -490.880114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.880114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.880114 (E_RNA)
where:
Base-Base interactions energy: -317.464
where: short stacking energy: -146.418
Base-Backbone interact. energy: -0.982
local terms energy: -172.433852
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -47.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -434.933139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.933139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.933139 (E_RNA)
where:
Base-Base interactions energy: -288.918
where: short stacking energy: -128.620
Base-Backbone interact. energy: 1.285
local terms energy: -147.300077
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -30.123
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -37.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -286.204321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.204321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.204321 (E_RNA)
where:
Base-Base interactions energy: -163.766
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.798
local terms energy: -121.640682
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -21.333
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: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -264.266286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.266286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.266286 (E_RNA)
where:
Base-Base interactions energy: -155.873
where: short stacking energy: -75.930
Base-Backbone interact. energy: -2.431
local terms energy: -105.962446
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -14.085
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: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -146.017951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.017951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.017951 (E_RNA)
where:
Base-Base interactions energy: -40.627
where: short stacking energy: -36.203
Base-Backbone interact. energy: -0.356
local terms energy: -105.034692
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: 0.873
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: 340
Temperature: 1.350000
Total energy: -139.668056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.668056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.668056 (E_RNA)
where:
Base-Base interactions energy: -45.367
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.572
local terms energy: -93.728781
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -4.022
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: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -551.862293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.862293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.862293 (E_RNA)
where:
Base-Base interactions energy: -381.097
where: short stacking energy: -162.162
Base-Backbone interact. energy: -0.339
local terms energy: -170.426066
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -48.948
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: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -550.360306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.360306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.360306 (E_RNA)
where:
Base-Base interactions energy: -382.567
where: short stacking energy: -169.528
Base-Backbone interact. energy: 2.088
local terms energy: -169.880792
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -50.139
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: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -538.567467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.567467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.567467 (E_RNA)
where:
Base-Base interactions energy: -363.131
where: short stacking energy: -158.439
Base-Backbone interact. energy: -0.371
local terms energy: -175.065248
where:
bonds (distance) C4'-P energy: -29.156
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -55.528
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: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -506.782382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.782382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.782382 (E_RNA)
where:
Base-Base interactions energy: -340.396
where: short stacking energy: -142.719
Base-Backbone interact. energy: -0.308
local terms energy: -166.078248
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -43.559
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: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -496.480059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.480059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.480059 (E_RNA)
where:
Base-Base interactions energy: -346.263
where: short stacking energy: -146.617
Base-Backbone interact. energy: -0.427
local terms energy: -149.790412
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -36.746
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: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -438.480825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.480825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.480825 (E_RNA)
where:
Base-Base interactions energy: -288.838
where: short stacking energy: -125.931
Base-Backbone interact. energy: -0.487
local terms energy: -149.155823
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -32.466
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -36.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -343.773248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.773248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.773248 (E_RNA)
where:
Base-Base interactions energy: -204.482
where: short stacking energy: -98.364
Base-Backbone interact. energy: -0.427
local terms energy: -138.864025
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -28.025
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -22.918
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: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -266.546045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.546045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.546045 (E_RNA)
where:
Base-Base interactions energy: -153.500
where: short stacking energy: -82.321
Base-Backbone interact. energy: -2.177
local terms energy: -110.869551
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: -17.905
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: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -174.209323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.209323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.209323 (E_RNA)
where:
Base-Base interactions energy: -73.402
where: short stacking energy: -43.634
Base-Backbone interact. energy: -0.730
local terms energy: -100.076641
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: 1.314
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: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -145.598230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.598230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.598230 (E_RNA)
where:
Base-Base interactions energy: -42.089
where: short stacking energy: -39.881
Base-Backbone interact. energy: 0.746
local terms energy: -104.254818
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -2.686
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: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -564.949621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.949621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.949621 (E_RNA)
where:
Base-Base interactions energy: -389.196
where: short stacking energy: -168.932
Base-Backbone interact. energy: 2.012
local terms energy: -177.766182
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -46.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -532.758225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.758225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.758225 (E_RNA)
where:
Base-Base interactions energy: -372.110
where: short stacking energy: -146.435
Base-Backbone interact. energy: 1.731
local terms energy: -162.379128
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -32.892
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -40.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -530.238054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.238054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.238054 (E_RNA)
where:
Base-Base interactions energy: -356.193
where: short stacking energy: -149.146
Base-Backbone interact. energy: 1.734
local terms energy: -175.778620
where:
bonds (distance) C4'-P energy: -35.470
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -45.777
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -485.108866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.108866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.108866 (E_RNA)
where:
Base-Base interactions energy: -335.816
where: short stacking energy: -132.228
Base-Backbone interact. energy: -1.222
local terms energy: -148.071389
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -35.863
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -40.000
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: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -507.580973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.580973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.580973 (E_RNA)
where:
Base-Base interactions energy: -348.590
where: short stacking energy: -141.266
Base-Backbone interact. energy: 1.533
local terms energy: -160.524071
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -45.216
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: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -415.591115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.591115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.591115 (E_RNA)
where:
Base-Base interactions energy: -264.607
where: short stacking energy: -120.100
Base-Backbone interact. energy: -0.791
local terms energy: -150.193320
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -33.731
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: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -338.400696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.400696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.400696 (E_RNA)
where:
Base-Base interactions energy: -204.872
where: short stacking energy: -90.410
Base-Backbone interact. energy: -0.360
local terms energy: -133.168952
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -26.221
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: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -265.509494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.509494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.509494 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -88.692
Base-Backbone interact. energy: -0.241
local terms energy: -125.629033
where:
bonds (distance) C4'-P energy: -27.261
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -143.219579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.219579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.219579 (E_RNA)
where:
Base-Base interactions energy: -53.295
where: short stacking energy: -41.189
Base-Backbone interact. energy: 1.482
local terms energy: -91.406498
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -0.572
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: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -185.196449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.196449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.196449 (E_RNA)
where:
Base-Base interactions energy: -78.937
where: short stacking energy: -44.949
Base-Backbone interact. energy: -1.005
local terms energy: -105.253938
where:
bonds (distance) C4'-P energy: -27.209
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: 1.123
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: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -555.036030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.036030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.036030 (E_RNA)
where:
Base-Base interactions energy: -384.284
where: short stacking energy: -159.576
Base-Backbone interact. energy: 1.479
local terms energy: -172.231218
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -31.760
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -43.563
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: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -538.352739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.352739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.352739 (E_RNA)
where:
Base-Base interactions energy: -362.315
where: short stacking energy: -156.289
Base-Backbone interact. energy: -0.447
local terms energy: -175.590787
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -35.239
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -45.842
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: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -528.088507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.088507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.088507 (E_RNA)
where:
Base-Base interactions energy: -371.920
where: short stacking energy: -139.756
Base-Backbone interact. energy: -1.264
local terms energy: -154.904135
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -38.709
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: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -510.050126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.050126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.050126 (E_RNA)
where:
Base-Base interactions energy: -347.903
where: short stacking energy: -141.485
Base-Backbone interact. energy: -0.674
local terms energy: -161.472310
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -43.214
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: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -464.204909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.204909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.204909 (E_RNA)
where:
Base-Base interactions energy: -331.251
where: short stacking energy: -131.540
Base-Backbone interact. energy: -0.247
local terms energy: -132.706985
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -36.661
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: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -421.692670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.692670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.692670 (E_RNA)
where:
Base-Base interactions energy: -280.463
where: short stacking energy: -124.459
Base-Backbone interact. energy: -0.227
local terms energy: -141.002451
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -35.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -361.967018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.967018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.967018 (E_RNA)
where:
Base-Base interactions energy: -220.905
where: short stacking energy: -112.404
Base-Backbone interact. energy: -0.649
local terms energy: -140.413221
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -33.171
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: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -270.089267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.089267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.089267 (E_RNA)
where:
Base-Base interactions energy: -154.967
where: short stacking energy: -68.336
Base-Backbone interact. energy: 0.290
local terms energy: -115.412301
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -5.719
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: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -163.657244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.657244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.657244 (E_RNA)
where:
Base-Base interactions energy: -46.954
where: short stacking energy: -44.840
Base-Backbone interact. energy: 0.293
local terms energy: -116.996093
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -36.754
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -1.646
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: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -135.627061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.627061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.627061 (E_RNA)
where:
Base-Base interactions energy: -55.426
where: short stacking energy: -48.903
Base-Backbone interact. energy: 0.676
local terms energy: -80.877407
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: 0.153
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: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -556.357691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.357691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.357691 (E_RNA)
where:
Base-Base interactions energy: -377.519
where: short stacking energy: -164.044
Base-Backbone interact. energy: -0.691
local terms energy: -178.147401
where:
bonds (distance) C4'-P energy: -32.786
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -29.638
tors. eta vs tors. theta energy: -44.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -551.275267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.275267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.275267 (E_RNA)
where:
Base-Base interactions energy: -369.528
where: short stacking energy: -170.444
Base-Backbone interact. energy: -0.274
local terms energy: -181.473195
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: -52.395
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: 344
Temperature: 1.000000
Total energy: -526.455655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.455655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.455655 (E_RNA)
where:
Base-Base interactions energy: -358.332
where: short stacking energy: -153.062
Base-Backbone interact. energy: -0.802
local terms energy: -167.320982
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: -44.445
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: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -514.935943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.935943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.935943 (E_RNA)
where:
Base-Base interactions energy: -354.922
where: short stacking energy: -147.815
Base-Backbone interact. energy: -0.803
local terms energy: -159.210938
where:
bonds (distance) C4'-P energy: -28.050
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -44.808
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: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -434.690771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.690771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.690771 (E_RNA)
where:
Base-Base interactions energy: -282.305
where: short stacking energy: -129.065
Base-Backbone interact. energy: -0.335
local terms energy: -152.050951
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -31.255
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -38.052
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: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -464.636860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.636860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.636860 (E_RNA)
where:
Base-Base interactions energy: -320.340
where: short stacking energy: -130.091
Base-Backbone interact. energy: -0.252
local terms energy: -144.044808
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -33.974
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: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -355.634860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.634860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.634860 (E_RNA)
where:
Base-Base interactions energy: -228.200
where: short stacking energy: -104.052
Base-Backbone interact. energy: -0.160
local terms energy: -127.274860
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -250.342377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.342377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.342377 (E_RNA)
where:
Base-Base interactions energy: -135.941
where: short stacking energy: -76.791
Base-Backbone interact. energy: -1.503
local terms energy: -112.898104
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -28.465
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -150.914701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.914701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.914701 (E_RNA)
where:
Base-Base interactions energy: -63.467
where: short stacking energy: -54.598
Base-Backbone interact. energy: -1.196
local terms energy: -86.252047
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -5.560
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: 344
Temperature: 1.350000
Total energy: -134.163417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.163417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.163417 (E_RNA)
where:
Base-Base interactions energy: -41.656
where: short stacking energy: -35.958
Base-Backbone interact. energy: -0.581
local terms energy: -91.925819
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -2.436
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: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -541.788849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.788849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.788849 (E_RNA)
where:
Base-Base interactions energy: -376.955
where: short stacking energy: -158.144
Base-Backbone interact. energy: -0.530
local terms energy: -164.303785
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -35.799
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -43.036
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: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -545.013868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.013868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.013868 (E_RNA)
where:
Base-Base interactions energy: -378.859
where: short stacking energy: -160.960
Base-Backbone interact. energy: 1.254
local terms energy: -167.408841
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -46.836
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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -546.737189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.737189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.737189 (E_RNA)
where:
Base-Base interactions energy: -380.928
where: short stacking energy: -161.955
Base-Backbone interact. energy: -0.178
local terms energy: -165.631230
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -48.474
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -513.589628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.589628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.589628 (E_RNA)
where:
Base-Base interactions energy: -351.532
where: short stacking energy: -141.854
Base-Backbone interact. energy: -0.472
local terms energy: -161.585534
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -44.187
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: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -450.382283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.382283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.382283 (E_RNA)
where:
Base-Base interactions energy: -299.923
where: short stacking energy: -130.672
Base-Backbone interact. energy: -0.930
local terms energy: -149.528427
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -39.621
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: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -471.858943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.858943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.858943 (E_RNA)
where:
Base-Base interactions energy: -312.816
where: short stacking energy: -131.448
Base-Backbone interact. energy: -1.362
local terms energy: -157.681105
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -32.945
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -39.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -333.863566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.863566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.863566 (E_RNA)
where:
Base-Base interactions energy: -206.568
where: short stacking energy: -92.530
Base-Backbone interact. energy: 0.767
local terms energy: -128.063080
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -23.143
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: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -250.275543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.275543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.275543 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -78.700
Base-Backbone interact. energy: 1.465
local terms energy: -114.297981
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -16.704
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -159.632446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.632446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.632446 (E_RNA)
where:
Base-Base interactions energy: -59.053
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.206
local terms energy: -100.373542
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -139.772503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.772503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.772503 (E_RNA)
where:
Base-Base interactions energy: -55.984
where: short stacking energy: -44.935
Base-Backbone interact. energy: -0.244
local terms energy: -83.544812
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: 7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -557.761241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.761241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.761241 (E_RNA)
where:
Base-Base interactions energy: -378.650
where: short stacking energy: -167.976
Base-Backbone interact. energy: -0.219
local terms energy: -178.892258
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -49.757
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: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -552.416205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.416205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.416205 (E_RNA)
where:
Base-Base interactions energy: -377.793
where: short stacking energy: -167.876
Base-Backbone interact. energy: -1.562
local terms energy: -173.060927
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -50.640
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: 346
Temperature: 1.000000
Total energy: -535.787930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.787930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.787930 (E_RNA)
where:
Base-Base interactions energy: -380.172
where: short stacking energy: -150.434
Base-Backbone interact. energy: -1.870
local terms energy: -153.746183
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -41.266
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: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -516.697319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.697319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.697319 (E_RNA)
where:
Base-Base interactions energy: -352.766
where: short stacking energy: -152.421
Base-Backbone interact. energy: -0.973
local terms energy: -162.958535
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -475.072320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.072320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.072320 (E_RNA)
where:
Base-Base interactions energy: -321.226
where: short stacking energy: -143.157
Base-Backbone interact. energy: -0.599
local terms energy: -153.246477
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -45.058
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: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -437.811825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.811825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.811825 (E_RNA)
where:
Base-Base interactions energy: -294.444
where: short stacking energy: -140.050
Base-Backbone interact. energy: 0.694
local terms energy: -144.061674
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -47.087
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: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -354.208388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.208388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.208388 (E_RNA)
where:
Base-Base interactions energy: -209.924
where: short stacking energy: -101.029
Base-Backbone interact. energy: 2.393
local terms energy: -146.677633
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: -28.735
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: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -253.345638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.345638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.345638 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.353
local terms energy: -121.669208
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -31.256
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -11.541
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: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -159.163531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.163531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.163531 (E_RNA)
where:
Base-Base interactions energy: -55.971
where: short stacking energy: -42.842
Base-Backbone interact. energy: 0.106
local terms energy: -103.298503
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -2.528
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: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -154.296889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.296889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.296889 (E_RNA)
where:
Base-Base interactions energy: -82.472
where: short stacking energy: -46.185
Base-Backbone interact. energy: 0.014
local terms energy: -71.838350
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: 5.033
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: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -553.589915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.589915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.589915 (E_RNA)
where:
Base-Base interactions energy: -375.771
where: short stacking energy: -134.960
Base-Backbone interact. energy: -1.183
local terms energy: -176.635707
where:
bonds (distance) C4'-P energy: -38.939
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -41.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -551.672781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.672781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.672781 (E_RNA)
where:
Base-Base interactions energy: -383.153
where: short stacking energy: -147.637
Base-Backbone interact. energy: -0.258
local terms energy: -168.261975
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -26.686
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: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -528.845576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.845576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.845576 (E_RNA)
where:
Base-Base interactions energy: -350.867
where: short stacking energy: -161.364
Base-Backbone interact. energy: -0.299
local terms energy: -177.680361
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -53.914
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: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -523.111322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.111322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.111322 (E_RNA)
where:
Base-Base interactions energy: -356.978
where: short stacking energy: -144.710
Base-Backbone interact. energy: -0.967
local terms energy: -165.165620
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -35.681
flat angles C4'-P-C4' energy: -37.438
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -43.546
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -494.439000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.439000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.439000 (E_RNA)
where:
Base-Base interactions energy: -339.628
where: short stacking energy: -138.129
Base-Backbone interact. energy: -0.834
local terms energy: -153.976824
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -31.439
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -41.045
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: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -420.630492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.630492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.630492 (E_RNA)
where:
Base-Base interactions energy: -268.147
where: short stacking energy: -119.403
Base-Backbone interact. energy: -0.107
local terms energy: -152.376474
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -34.148
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: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -332.204622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.204622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.204622 (E_RNA)
where:
Base-Base interactions energy: -207.338
where: short stacking energy: -98.987
Base-Backbone interact. energy: 0.686
local terms energy: -125.553490
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -266.672208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.672208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.672208 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -79.176
Base-Backbone interact. energy: 3.136
local terms energy: -127.382817
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -16.087
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: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -141.886095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.886095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.886095 (E_RNA)
where:
Base-Base interactions energy: -42.415
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.415
local terms energy: -99.055478
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -0.696
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: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -159.427462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.427462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.427462 (E_RNA)
where:
Base-Base interactions energy: -71.522
where: short stacking energy: -43.425
Base-Backbone interact. energy: -1.284
local terms energy: -86.621373
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -551.193328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.193328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.193328 (E_RNA)
where:
Base-Base interactions energy: -391.621
where: short stacking energy: -147.721
Base-Backbone interact. energy: -0.993
local terms energy: -158.579135
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -37.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -535.868454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.868454 (E_RNA)
where:
Base-Base interactions energy: -371.596
where: short stacking energy: -152.814
Base-Backbone interact. energy: -0.669
local terms energy: -163.602936
where:
bonds (distance) C4'-P energy: -24.762
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -49.205
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: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -531.487649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.487649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.487649 (E_RNA)
where:
Base-Base interactions energy: -361.980
where: short stacking energy: -163.845
Base-Backbone interact. energy: -0.339
local terms energy: -169.168436
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -36.189
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -47.741
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -523.447012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.447012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.447012 (E_RNA)
where:
Base-Base interactions energy: -346.046
where: short stacking energy: -149.735
Base-Backbone interact. energy: -0.368
local terms energy: -177.033152
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -46.985
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: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -526.010130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.010130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.010130 (E_RNA)
where:
Base-Base interactions energy: -359.839
where: short stacking energy: -152.164
Base-Backbone interact. energy: -0.556
local terms energy: -165.615371
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -47.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -418.630629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.630629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.630629 (E_RNA)
where:
Base-Base interactions energy: -273.840
where: short stacking energy: -117.735
Base-Backbone interact. energy: -0.501
local terms energy: -144.289587
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -39.481
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: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -252.288874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.288874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.288874 (E_RNA)
where:
Base-Base interactions energy: -131.283
where: short stacking energy: -65.340
Base-Backbone interact. energy: -2.649
local terms energy: -118.356547
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -30.690
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -303.572980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.572980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.572980 (E_RNA)
where:
Base-Base interactions energy: -179.031
where: short stacking energy: -87.592
Base-Backbone interact. energy: -0.261
local terms energy: -124.281039
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -152.992252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.992252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.992252 (E_RNA)
where:
Base-Base interactions energy: -43.688
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.337
local terms energy: -108.966730
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: 3.340
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: 348
Temperature: 1.350000
Total energy: -136.514514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.514514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.514514 (E_RNA)
where:
Base-Base interactions energy: -52.791
where: short stacking energy: -42.370
Base-Backbone interact. energy: 0.189
local terms energy: -83.912116
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -2.833
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: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -548.391480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.391480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.391480 (E_RNA)
where:
Base-Base interactions energy: -379.879
where: short stacking energy: -151.177
Base-Backbone interact. energy: -2.070
local terms energy: -166.442699
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -38.085
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -46.875
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: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -552.861044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.861044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.861044 (E_RNA)
where:
Base-Base interactions energy: -388.687
where: short stacking energy: -145.879
Base-Backbone interact. energy: -1.852
local terms energy: -162.321321
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -43.653
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: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -522.184092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.184092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.184092 (E_RNA)
where:
Base-Base interactions energy: -356.002
where: short stacking energy: -141.956
Base-Backbone interact. energy: -0.679
local terms energy: -165.503913
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -32.370
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: -42.117
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: 349
Temperature: 1.050000
Total energy: -532.054607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.054607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.054607 (E_RNA)
where:
Base-Base interactions energy: -356.801
where: short stacking energy: -156.609
Base-Backbone interact. energy: 0.827
local terms energy: -176.080369
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -32.949
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -54.244
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -501.885255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.885255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.885255 (E_RNA)
where:
Base-Base interactions energy: -337.813
where: short stacking energy: -135.380
Base-Backbone interact. energy: -0.649
local terms energy: -163.422710
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -46.508
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: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -427.971363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.971363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.971363 (E_RNA)
where:
Base-Base interactions energy: -285.807
where: short stacking energy: -107.828
Base-Backbone interact. energy: -0.506
local terms energy: -141.657756
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -33.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -271.826294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.826294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.826294 (E_RNA)
where:
Base-Base interactions energy: -156.599
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.555
local terms energy: -114.671770
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -6.355
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: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -318.868776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.868776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.868776 (E_RNA)
where:
Base-Base interactions energy: -194.659
where: short stacking energy: -94.904
Base-Backbone interact. energy: 0.463
local terms energy: -124.672062
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -23.138
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: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -165.783885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.783885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.783885 (E_RNA)
where:
Base-Base interactions energy: -72.860
where: short stacking energy: -31.791
Base-Backbone interact. energy: 0.315
local terms energy: -93.238867
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: 1.872
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: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -142.795387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.795387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.795387 (E_RNA)
where:
Base-Base interactions energy: -49.168
where: short stacking energy: -33.092
Base-Backbone interact. energy: 2.059
local terms energy: -95.686369
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -0.199
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: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -569.790798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.790798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.790798 (E_RNA)
where:
Base-Base interactions energy: -390.315
where: short stacking energy: -159.463
Base-Backbone interact. energy: -0.812
local terms energy: -178.663465
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -37.953
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -45.939
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -538.537766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.537766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.537766 (E_RNA)
where:
Base-Base interactions energy: -379.050
where: short stacking energy: -147.938
Base-Backbone interact. energy: -0.729
local terms energy: -158.758777
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -38.470
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -47.245
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -522.293326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.293326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.293326 (E_RNA)
where:
Base-Base interactions energy: -347.463
where: short stacking energy: -155.300
Base-Backbone interact. energy: -0.964
local terms energy: -173.865909
where:
bonds (distance) C4'-P energy: -33.454
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -47.234
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: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -501.835007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.835007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.835007 (E_RNA)
where:
Base-Base interactions energy: -345.473
where: short stacking energy: -140.282
Base-Backbone interact. energy: -0.846
local terms energy: -155.515837
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -40.380
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -40.740
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: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -511.676088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.676088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.676088 (E_RNA)
where:
Base-Base interactions energy: -346.387
where: short stacking energy: -143.980
Base-Backbone interact. energy: -1.076
local terms energy: -164.212561
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -47.451
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: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -453.735885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.735885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.735885 (E_RNA)
where:
Base-Base interactions energy: -292.822
where: short stacking energy: -122.547
Base-Backbone interact. energy: -0.594
local terms energy: -160.319772
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -40.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -337.803345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.803345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.803345 (E_RNA)
where:
Base-Base interactions energy: -212.834
where: short stacking energy: -102.621
Base-Backbone interact. energy: -1.014
local terms energy: -123.955467
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -23.062
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: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -311.401398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.401398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.401398 (E_RNA)
where:
Base-Base interactions energy: -184.471
where: short stacking energy: -95.801
Base-Backbone interact. energy: -0.556
local terms energy: -126.375079
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -17.835
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: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -173.268700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.268700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.268700 (E_RNA)
where:
Base-Base interactions energy: -78.113
where: short stacking energy: -42.958
Base-Backbone interact. energy: 1.771
local terms energy: -96.926548
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -2.175
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: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -141.306129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.306129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.306129 (E_RNA)
where:
Base-Base interactions energy: -56.923
where: short stacking energy: -29.012
Base-Backbone interact. energy: -0.777
local terms energy: -83.605863
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -8.691
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: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -577.383609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.383609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.383609 (E_RNA)
where:
Base-Base interactions energy: -403.493
where: short stacking energy: -150.732
Base-Backbone interact. energy: -1.010
local terms energy: -172.880294
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -25.559
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: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -523.901201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.901201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.901201 (E_RNA)
where:
Base-Base interactions energy: -346.575
where: short stacking energy: -147.643
Base-Backbone interact. energy: -0.119
local terms energy: -177.207160
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -50.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -536.919546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.919546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.919546 (E_RNA)
where:
Base-Base interactions energy: -365.481
where: short stacking energy: -151.649
Base-Backbone interact. energy: -0.202
local terms energy: -171.235972
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -24.579
tors. eta vs tors. theta energy: -48.325
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: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -508.451269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.451269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.451269 (E_RNA)
where:
Base-Base interactions energy: -349.905
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.152
local terms energy: -158.394046
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -43.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -481.666212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.666212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.666212 (E_RNA)
where:
Base-Base interactions energy: -334.144
where: short stacking energy: -147.017
Base-Backbone interact. energy: -0.130
local terms energy: -147.392392
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -39.501
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: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -446.385927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.385927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.385927 (E_RNA)
where:
Base-Base interactions energy: -297.274
where: short stacking energy: -126.548
Base-Backbone interact. energy: -0.286
local terms energy: -148.826148
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -34.944
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: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -354.830813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.830813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.830813 (E_RNA)
where:
Base-Base interactions energy: -215.851
where: short stacking energy: -108.821
Base-Backbone interact. energy: -0.146
local terms energy: -138.833701
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -28.355
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -26.145
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: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -341.342358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.342358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.342358 (E_RNA)
where:
Base-Base interactions energy: -206.849
where: short stacking energy: -102.522
Base-Backbone interact. energy: -1.031
local terms energy: -133.462472
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -26.476
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: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -184.584302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.584302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.584302 (E_RNA)
where:
Base-Base interactions energy: -84.843
where: short stacking energy: -57.451
Base-Backbone interact. energy: 0.431
local terms energy: -100.172057
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -5.301
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: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -148.009868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.009868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.009868 (E_RNA)
where:
Base-Base interactions energy: -47.640
where: short stacking energy: -36.412
Base-Backbone interact. energy: 2.009
local terms energy: -102.378656
where:
bonds (distance) C4'-P energy: -25.460
bonds (distance) P-C4' energy: -34.362
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -21.009
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: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -562.593338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.593338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.593338 (E_RNA)
where:
Base-Base interactions energy: -398.752
where: short stacking energy: -153.036
Base-Backbone interact. energy: -0.218
local terms energy: -163.624028
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -38.353
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -41.318
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: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -537.944639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.944639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.944639 (E_RNA)
where:
Base-Base interactions energy: -356.800
where: short stacking energy: -159.413
Base-Backbone interact. energy: -0.593
local terms energy: -180.552128
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -49.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -555.080611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.080611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.080611 (E_RNA)
where:
Base-Base interactions energy: -380.286
where: short stacking energy: -161.327
Base-Backbone interact. energy: -0.329
local terms energy: -174.466224
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -53.813
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: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -509.524208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.524208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.524208 (E_RNA)
where:
Base-Base interactions energy: -340.356
where: short stacking energy: -144.494
Base-Backbone interact. energy: -0.855
local terms energy: -168.314059
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -47.188
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: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -519.899345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.899345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.899345 (E_RNA)
where:
Base-Base interactions energy: -360.490
where: short stacking energy: -147.712
Base-Backbone interact. energy: -0.142
local terms energy: -159.267671
where:
bonds (distance) C4'-P energy: -36.459
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -23.042
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -431.032835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.032835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.032835 (E_RNA)
where:
Base-Base interactions energy: -287.417
where: short stacking energy: -130.678
Base-Backbone interact. energy: -0.667
local terms energy: -142.948938
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -38.280
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: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -353.507167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.507167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.507167 (E_RNA)
where:
Base-Base interactions energy: -225.017
where: short stacking energy: -114.116
Base-Backbone interact. energy: 1.379
local terms energy: -129.869598
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -363.814686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.814686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.814686 (E_RNA)
where:
Base-Base interactions energy: -227.631
where: short stacking energy: -111.949
Base-Backbone interact. energy: 1.069
local terms energy: -137.252674
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -26.395
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: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -144.837836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.837836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.837836 (E_RNA)
where:
Base-Base interactions energy: -49.138
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.036
local terms energy: -95.663876
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -30.890
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -2.531
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: 352
Temperature: 1.350000
Total energy: -146.157182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.157182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.157182 (E_RNA)
where:
Base-Base interactions energy: -54.436
where: short stacking energy: -39.729
Base-Backbone interact. energy: 1.581
local terms energy: -93.302895
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: 3.560
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: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -557.535304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.535304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.535304 (E_RNA)
where:
Base-Base interactions energy: -378.696
where: short stacking energy: -155.527
Base-Backbone interact. energy: -0.426
local terms energy: -178.413581
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -34.405
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -45.701
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: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -552.352402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.352402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.352402 (E_RNA)
where:
Base-Base interactions energy: -370.674
where: short stacking energy: -161.912
Base-Backbone interact. energy: -1.786
local terms energy: -179.892570
where:
bonds (distance) C4'-P energy: -31.318
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -38.657
flat angles P-C4'-P energy: -26.537
tors. eta vs tors. theta energy: -50.692
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: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -537.808638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.808638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.808638 (E_RNA)
where:
Base-Base interactions energy: -367.388
where: short stacking energy: -157.109
Base-Backbone interact. energy: -1.000
local terms energy: -169.420319
where:
bonds (distance) C4'-P energy: -37.941
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -43.767
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: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -519.912006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.912006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.912006 (E_RNA)
where:
Base-Base interactions energy: -348.766
where: short stacking energy: -149.886
Base-Backbone interact. energy: -0.138
local terms energy: -171.007408
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -37.435
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -43.262
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: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -497.328441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.328441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.328441 (E_RNA)
where:
Base-Base interactions energy: -339.266
where: short stacking energy: -126.747
Base-Backbone interact. energy: -1.760
local terms energy: -156.302376
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -40.741
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: 353
Temperature: 1.150000
Total energy: -432.669085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.669085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.669085 (E_RNA)
where:
Base-Base interactions energy: -291.982
where: short stacking energy: -128.093
Base-Backbone interact. energy: -0.903
local terms energy: -139.784604
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -35.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -356.492910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.492910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.492910 (E_RNA)
where:
Base-Base interactions energy: -227.405
where: short stacking energy: -117.082
Base-Backbone interact. energy: 0.170
local terms energy: -129.258325
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -31.287
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: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -374.478850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.478850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.478850 (E_RNA)
where:
Base-Base interactions energy: -248.005
where: short stacking energy: -114.990
Base-Backbone interact. energy: 0.757
local terms energy: -127.230935
where:
bonds (distance) C4'-P energy: -29.453
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -26.056
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: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -149.305685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.305685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.305685 (E_RNA)
where:
Base-Base interactions energy: -56.414
where: short stacking energy: -36.074
Base-Backbone interact. energy: 0.276
local terms energy: -93.167261
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -138.005561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.005561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.005561 (E_RNA)
where:
Base-Base interactions energy: -47.454
where: short stacking energy: -43.657
Base-Backbone interact. energy: -0.749
local terms energy: -89.802494
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -2.080
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: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -564.851923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.851923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.851923 (E_RNA)
where:
Base-Base interactions energy: -386.392
where: short stacking energy: -163.130
Base-Backbone interact. energy: -0.657
local terms energy: -177.802271
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -35.600
flat angles C4'-P-C4' energy: -37.899
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -50.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -546.787694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.787694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.787694 (E_RNA)
where:
Base-Base interactions energy: -384.101
where: short stacking energy: -150.712
Base-Backbone interact. energy: -1.274
local terms energy: -161.413080
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -35.010
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -42.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -537.531948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.531948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.531948 (E_RNA)
where:
Base-Base interactions energy: -372.694
where: short stacking energy: -162.406
Base-Backbone interact. energy: 0.699
local terms energy: -165.536562
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -28.031
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -49.961
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: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -518.662985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.662985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.662985 (E_RNA)
where:
Base-Base interactions energy: -355.254
where: short stacking energy: -143.451
Base-Backbone interact. energy: -0.050
local terms energy: -163.358866
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -44.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -487.181534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.181534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.181534 (E_RNA)
where:
Base-Base interactions energy: -324.201
where: short stacking energy: -153.988
Base-Backbone interact. energy: -1.233
local terms energy: -161.748058
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -47.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -427.240055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.240055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.240055 (E_RNA)
where:
Base-Base interactions energy: -285.166
where: short stacking energy: -115.371
Base-Backbone interact. energy: -0.947
local terms energy: -141.127707
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -32.448
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: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -388.602555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.602555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.602555 (E_RNA)
where:
Base-Base interactions energy: -251.689
where: short stacking energy: -110.147
Base-Backbone interact. energy: -2.753
local terms energy: -134.160390
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -29.569
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: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -316.442838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.442838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.442838 (E_RNA)
where:
Base-Base interactions energy: -197.339
where: short stacking energy: -88.467
Base-Backbone interact. energy: -0.130
local terms energy: -118.973859
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -20.782
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: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -159.128259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.128259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.128259 (E_RNA)
where:
Base-Base interactions energy: -53.396
where: short stacking energy: -42.813
Base-Backbone interact. energy: 0.136
local terms energy: -105.867727
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: 0.218
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: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -144.733276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.733276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.733276 (E_RNA)
where:
Base-Base interactions energy: -59.294
where: short stacking energy: -43.278
Base-Backbone interact. energy: -0.708
local terms energy: -84.731899
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -3.776
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: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -560.406850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.406850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.406850 (E_RNA)
where:
Base-Base interactions energy: -377.538
where: short stacking energy: -163.761
Base-Backbone interact. energy: 0.802
local terms energy: -183.670895
where:
bonds (distance) C4'-P energy: -36.220
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -41.674
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -55.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -524.077948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.077948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.077948 (E_RNA)
where:
Base-Base interactions energy: -356.426
where: short stacking energy: -147.518
Base-Backbone interact. energy: -0.582
local terms energy: -167.070306
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -534.290796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.290796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.290796 (E_RNA)
where:
Base-Base interactions energy: -360.956
where: short stacking energy: -148.836
Base-Backbone interact. energy: -0.457
local terms energy: -172.877865
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -47.079
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: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -500.180785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.180785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.180785 (E_RNA)
where:
Base-Base interactions energy: -338.919
where: short stacking energy: -139.817
Base-Backbone interact. energy: -1.881
local terms energy: -159.380445
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -44.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -496.722537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.722537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.722537 (E_RNA)
where:
Base-Base interactions energy: -338.200
where: short stacking energy: -150.676
Base-Backbone interact. energy: -0.834
local terms energy: -157.689280
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -445.006804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.006804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.006804 (E_RNA)
where:
Base-Base interactions energy: -293.102
where: short stacking energy: -121.575
Base-Backbone interact. energy: -0.143
local terms energy: -151.762388
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -40.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -384.566095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.566095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.566095 (E_RNA)
where:
Base-Base interactions energy: -241.110
where: short stacking energy: -90.705
Base-Backbone interact. energy: -2.882
local terms energy: -140.574093
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -29.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -325.697687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.697687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.697687 (E_RNA)
where:
Base-Base interactions energy: -200.119
where: short stacking energy: -88.252
Base-Backbone interact. energy: -0.474
local terms energy: -125.104816
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -152.196727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.196727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.196727 (E_RNA)
where:
Base-Base interactions energy: -54.101
where: short stacking energy: -44.882
Base-Backbone interact. energy: -0.520
local terms energy: -97.576258
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -126.933511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.933511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.933511 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -37.363
Base-Backbone interact. energy: 0.463
local terms energy: -85.376160
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: 7.140
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -551.014165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.014165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.014165 (E_RNA)
where:
Base-Base interactions energy: -374.048
where: short stacking energy: -152.452
Base-Backbone interact. energy: -0.367
local terms energy: -176.599263
where:
bonds (distance) C4'-P energy: -33.031
bonds (distance) P-C4' energy: -33.461
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -49.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -536.410972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.410972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.410972 (E_RNA)
where:
Base-Base interactions energy: -363.362
where: short stacking energy: -151.107
Base-Backbone interact. energy: -0.044
local terms energy: -173.005712
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -45.745
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: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -511.299969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.299969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.299969 (E_RNA)
where:
Base-Base interactions energy: -342.088
where: short stacking energy: -151.324
Base-Backbone interact. energy: -1.219
local terms energy: -167.993117
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -35.570
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -49.605
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: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -518.774580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.774580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.774580 (E_RNA)
where:
Base-Base interactions energy: -363.412
where: short stacking energy: -156.807
Base-Backbone interact. energy: -0.020
local terms energy: -155.342689
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -46.348
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: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -490.343835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.343835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.343835 (E_RNA)
where:
Base-Base interactions energy: -334.210
where: short stacking energy: -149.627
Base-Backbone interact. energy: 1.050
local terms energy: -157.184274
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -33.290
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -41.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -448.109053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.109053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.109053 (E_RNA)
where:
Base-Base interactions energy: -283.028
where: short stacking energy: -135.679
Base-Backbone interact. energy: -0.748
local terms energy: -164.333347
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -42.614
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: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -355.021695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.021695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.021695 (E_RNA)
where:
Base-Base interactions energy: -222.698
where: short stacking energy: -95.815
Base-Backbone interact. energy: -0.176
local terms energy: -132.147829
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -27.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -334.423359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.423359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.423359 (E_RNA)
where:
Base-Base interactions energy: -199.515
where: short stacking energy: -87.870
Base-Backbone interact. energy: -0.993
local terms energy: -133.914687
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -168.368897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.368897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.368897 (E_RNA)
where:
Base-Base interactions energy: -55.639
where: short stacking energy: -53.641
Base-Backbone interact. energy: -0.484
local terms energy: -112.246323
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -12.832
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: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -181.292577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.292577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.292577 (E_RNA)
where:
Base-Base interactions energy: -81.056
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.649
local terms energy: -99.587127
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -22.395
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: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -563.516093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.516093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.516093 (E_RNA)
where:
Base-Base interactions energy: -376.729
where: short stacking energy: -175.714
Base-Backbone interact. energy: -0.393
local terms energy: -186.394242
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -36.154
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -53.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -536.033726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.033726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.033726 (E_RNA)
where:
Base-Base interactions energy: -357.174
where: short stacking energy: -151.852
Base-Backbone interact. energy: 0.569
local terms energy: -179.428967
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -45.658
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: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -531.532377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.532377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.532377 (E_RNA)
where:
Base-Base interactions energy: -363.952
where: short stacking energy: -151.794
Base-Backbone interact. energy: -0.351
local terms energy: -167.229018
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -33.414
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -45.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -519.793156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.793156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.793156 (E_RNA)
where:
Base-Base interactions energy: -357.260
where: short stacking energy: -154.292
Base-Backbone interact. energy: -0.162
local terms energy: -162.371039
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -32.485
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -47.171
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: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -493.325359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.325359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.325359 (E_RNA)
where:
Base-Base interactions energy: -326.939
where: short stacking energy: -135.717
Base-Backbone interact. energy: -2.055
local terms energy: -164.331421
where:
bonds (distance) C4'-P energy: -27.172
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -33.119
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -42.836
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: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -445.704846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.704846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.704846 (E_RNA)
where:
Base-Base interactions energy: -285.695
where: short stacking energy: -127.869
Base-Backbone interact. energy: 2.501
local terms energy: -162.510462
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -40.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -338.774279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.774279 (E_RNA)
where:
Base-Base interactions energy: -215.528
where: short stacking energy: -94.260
Base-Backbone interact. energy: 1.690
local terms energy: -124.936033
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -22.204
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: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -303.226802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.226802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.226802 (E_RNA)
where:
Base-Base interactions energy: -175.642
where: short stacking energy: -80.700
Base-Backbone interact. energy: -0.854
local terms energy: -126.730640
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -27.675
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: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -156.479516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.479516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.479516 (E_RNA)
where:
Base-Base interactions energy: -51.764
where: short stacking energy: -49.696
Base-Backbone interact. energy: -0.340
local terms energy: -104.375512
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: 4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -148.511588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.511588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.511588 (E_RNA)
where:
Base-Base interactions energy: -66.989
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.698
local terms energy: -80.824891
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: 1.703
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: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -549.242779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.242779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.242779 (E_RNA)
where:
Base-Base interactions energy: -374.691
where: short stacking energy: -159.838
Base-Backbone interact. energy: -0.770
local terms energy: -173.782173
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -45.559
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: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -528.864420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.864420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.864420 (E_RNA)
where:
Base-Base interactions energy: -362.647
where: short stacking energy: -160.013
Base-Backbone interact. energy: -1.490
local terms energy: -164.727362
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -44.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -520.426788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.426788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.426788 (E_RNA)
where:
Base-Base interactions energy: -352.621
where: short stacking energy: -145.921
Base-Backbone interact. energy: -1.036
local terms energy: -166.770036
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -529.630420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.630420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.630420 (E_RNA)
where:
Base-Base interactions energy: -356.335
where: short stacking energy: -155.403
Base-Backbone interact. energy: -0.396
local terms energy: -172.899354
where:
bonds (distance) C4'-P energy: -35.651
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -18.241
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: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -495.954841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.954841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.954841 (E_RNA)
where:
Base-Base interactions energy: -325.972
where: short stacking energy: -137.453
Base-Backbone interact. energy: -0.037
local terms energy: -169.945443
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -46.719
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: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -422.165965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.165965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.165965 (E_RNA)
where:
Base-Base interactions energy: -289.775
where: short stacking energy: -111.528
Base-Backbone interact. energy: -1.345
local terms energy: -131.045940
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -32.218
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: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -355.077398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.077398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.077398 (E_RNA)
where:
Base-Base interactions energy: -236.553
where: short stacking energy: -99.792
Base-Backbone interact. energy: -0.593
local terms energy: -117.931983
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -27.398
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -24.367
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: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -320.201344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.201344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.201344 (E_RNA)
where:
Base-Base interactions energy: -205.895
where: short stacking energy: -88.703
Base-Backbone interact. energy: -0.393
local terms energy: -113.912866
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -165.896170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.896170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.896170 (E_RNA)
where:
Base-Base interactions energy: -68.908
where: short stacking energy: -56.725
Base-Backbone interact. energy: 0.276
local terms energy: -97.264465
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -147.477772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.477772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.477772 (E_RNA)
where:
Base-Base interactions energy: -60.032
where: short stacking energy: -47.960
Base-Backbone interact. energy: -0.076
local terms energy: -87.369184
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: 1.505
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -560.334839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.334839 (E_RNA)
where:
Base-Base interactions energy: -375.343
where: short stacking energy: -145.645
Base-Backbone interact. energy: -0.277
local terms energy: -184.714877
where:
bonds (distance) C4'-P energy: -39.283
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -40.340
flat angles P-C4'-P energy: -27.623
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: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -545.507246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.507246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.507246 (E_RNA)
where:
Base-Base interactions energy: -372.446
where: short stacking energy: -163.204
Base-Backbone interact. energy: -0.056
local terms energy: -173.004855
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -55.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -530.121455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.121455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.121455 (E_RNA)
where:
Base-Base interactions energy: -363.248
where: short stacking energy: -158.662
Base-Backbone interact. energy: -0.221
local terms energy: -166.652656
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -39.533
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -45.128
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -493.985951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.985951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.985951 (E_RNA)
where:
Base-Base interactions energy: -331.284
where: short stacking energy: -127.095
Base-Backbone interact. energy: -1.034
local terms energy: -161.667173
where:
bonds (distance) C4'-P energy: -33.698
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -35.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -489.213572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.213572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.213572 (E_RNA)
where:
Base-Base interactions energy: -329.697
where: short stacking energy: -134.069
Base-Backbone interact. energy: -1.064
local terms energy: -158.452321
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -35.456
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -41.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -414.139079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.139079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.139079 (E_RNA)
where:
Base-Base interactions energy: -263.177
where: short stacking energy: -117.016
Base-Backbone interact. energy: -0.472
local terms energy: -150.489693
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -359.262077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.262077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.262077 (E_RNA)
where:
Base-Base interactions energy: -230.097
where: short stacking energy: -107.244
Base-Backbone interact. energy: 3.264
local terms energy: -132.428520
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -25.981
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: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -332.986969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.986969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.986969 (E_RNA)
where:
Base-Base interactions energy: -204.109
where: short stacking energy: -91.243
Base-Backbone interact. energy: -0.285
local terms energy: -128.593579
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -18.464
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: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -201.751195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.751195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.751195 (E_RNA)
where:
Base-Base interactions energy: -87.322
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.948
local terms energy: -113.481267
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -26.809
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -22.771
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: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -143.478467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.478467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.478467 (E_RNA)
where:
Base-Base interactions energy: -53.217
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.753
local terms energy: -89.508481
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -1.917
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: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -554.374598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.374598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.374598 (E_RNA)
where:
Base-Base interactions energy: -374.031
where: short stacking energy: -169.965
Base-Backbone interact. energy: 0.543
local terms energy: -180.886060
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -34.335
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -51.211
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -541.561581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.561581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.561581 (E_RNA)
where:
Base-Base interactions energy: -361.665
where: short stacking energy: -146.890
Base-Backbone interact. energy: 0.166
local terms energy: -180.062908
where:
bonds (distance) C4'-P energy: -33.002
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -48.107
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: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -541.934967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.934967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.934967 (E_RNA)
where:
Base-Base interactions energy: -377.765
where: short stacking energy: -164.013
Base-Backbone interact. energy: -1.008
local terms energy: -163.161733
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -45.497
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -506.455538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.455538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.455538 (E_RNA)
where:
Base-Base interactions energy: -343.613
where: short stacking energy: -144.325
Base-Backbone interact. energy: -0.643
local terms energy: -162.199831
where:
bonds (distance) C4'-P energy: -29.286
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -42.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -489.057311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.057311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.057311 (E_RNA)
where:
Base-Base interactions energy: -331.754
where: short stacking energy: -145.073
Base-Backbone interact. energy: -0.933
local terms energy: -156.370339
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -34.331
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -44.400
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: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -446.664442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.664442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.664442 (E_RNA)
where:
Base-Base interactions energy: -292.646
where: short stacking energy: -134.035
Base-Backbone interact. energy: -0.218
local terms energy: -153.799986
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -44.532
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: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -373.195181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.195181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.195181 (E_RNA)
where:
Base-Base interactions energy: -243.020
where: short stacking energy: -109.670
Base-Backbone interact. energy: -0.892
local terms energy: -129.283005
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -30.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -271.820764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.820764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.820764 (E_RNA)
where:
Base-Base interactions energy: -167.560
where: short stacking energy: -82.520
Base-Backbone interact. energy: -1.334
local terms energy: -102.926494
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -13.482
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: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -150.578736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.578736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.578736 (E_RNA)
where:
Base-Base interactions energy: -55.167
where: short stacking energy: -35.859
Base-Backbone interact. energy: 0.700
local terms energy: -96.111771
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -178.815808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.815808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.815808 (E_RNA)
where:
Base-Base interactions energy: -86.694
where: short stacking energy: -38.262
Base-Backbone interact. energy: 1.321
local terms energy: -93.443026
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -31.091
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: 2.052
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: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -550.081911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.081911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.081911 (E_RNA)
where:
Base-Base interactions energy: -374.945
where: short stacking energy: -167.247
Base-Backbone interact. energy: -0.560
local terms energy: -174.577383
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -49.346
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: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -552.751873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.751873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.751873 (E_RNA)
where:
Base-Base interactions energy: -376.456
where: short stacking energy: -165.264
Base-Backbone interact. energy: -0.480
local terms energy: -175.816063
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -36.996
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -52.168
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: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -516.605446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.605446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.605446 (E_RNA)
where:
Base-Base interactions energy: -350.986
where: short stacking energy: -145.061
Base-Backbone interact. energy: -0.517
local terms energy: -165.102846
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -46.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -494.616538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.616538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.616538 (E_RNA)
where:
Base-Base interactions energy: -333.961
where: short stacking energy: -139.940
Base-Backbone interact. energy: 1.294
local terms energy: -161.949305
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -42.555
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: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -496.341557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.341557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.341557 (E_RNA)
where:
Base-Base interactions energy: -342.005
where: short stacking energy: -139.073
Base-Backbone interact. energy: -0.427
local terms energy: -153.909854
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -46.089
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: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -426.599969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.599969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.599969 (E_RNA)
where:
Base-Base interactions energy: -288.099
where: short stacking energy: -126.502
Base-Backbone interact. energy: 0.025
local terms energy: -138.525114
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -27.276
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -37.348
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: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -355.322358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.322358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.322358 (E_RNA)
where:
Base-Base interactions energy: -229.164
where: short stacking energy: -111.396
Base-Backbone interact. energy: -1.132
local terms energy: -125.026579
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -311.121017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.121017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.121017 (E_RNA)
where:
Base-Base interactions energy: -185.602
where: short stacking energy: -89.703
Base-Backbone interact. energy: -1.255
local terms energy: -124.264676
where:
bonds (distance) C4'-P energy: -29.473
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -18.823
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: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -172.579192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.579192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.579192 (E_RNA)
where:
Base-Base interactions energy: -69.327
where: short stacking energy: -46.218
Base-Backbone interact. energy: 3.171
local terms energy: -106.422591
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -152.914969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.914969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.914969 (E_RNA)
where:
Base-Base interactions energy: -52.300
where: short stacking energy: -41.944
Base-Backbone interact. energy: 1.389
local terms energy: -102.003430
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -542.735501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.735501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.735501 (E_RNA)
where:
Base-Base interactions energy: -373.955
where: short stacking energy: -158.248
Base-Backbone interact. energy: -1.084
local terms energy: -167.695959
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -31.005
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -47.057
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -538.468743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.468743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.468743 (E_RNA)
where:
Base-Base interactions energy: -363.591
where: short stacking energy: -158.811
Base-Backbone interact. energy: -0.907
local terms energy: -173.970437
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -51.306
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: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -530.051526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.051526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.051526 (E_RNA)
where:
Base-Base interactions energy: -356.189
where: short stacking energy: -152.981
Base-Backbone interact. energy: -1.274
local terms energy: -172.588287
where:
bonds (distance) C4'-P energy: -33.161
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -493.443857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.443857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.443857 (E_RNA)
where:
Base-Base interactions energy: -333.553
where: short stacking energy: -142.661
Base-Backbone interact. energy: -1.757
local terms energy: -158.133263
where:
bonds (distance) C4'-P energy: -32.250
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -39.182
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: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -499.077122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.077122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.077122 (E_RNA)
where:
Base-Base interactions energy: -337.772
where: short stacking energy: -145.577
Base-Backbone interact. energy: -0.086
local terms energy: -161.219208
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -45.936
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: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -411.324925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.324925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.324925 (E_RNA)
where:
Base-Base interactions energy: -261.317
where: short stacking energy: -128.157
Base-Backbone interact. energy: -0.037
local terms energy: -149.970161
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -39.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -342.477226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.477226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.477226 (E_RNA)
where:
Base-Base interactions energy: -224.737
where: short stacking energy: -99.025
Base-Backbone interact. energy: -0.077
local terms energy: -117.662735
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -16.050
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: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -271.276399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.276399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.276399 (E_RNA)
where:
Base-Base interactions energy: -147.882
where: short stacking energy: -86.246
Base-Backbone interact. energy: -0.356
local terms energy: -123.038396
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -164.719447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.719447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.719447 (E_RNA)
where:
Base-Base interactions energy: -76.973
where: short stacking energy: -61.248
Base-Backbone interact. energy: 0.957
local terms energy: -88.703488
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -10.211
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: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -151.519520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.519520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.519520 (E_RNA)
where:
Base-Base interactions energy: -43.890
where: short stacking energy: -43.786
Base-Backbone interact. energy: -0.773
local terms energy: -106.856604
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -14.488
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: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -547.641324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.641324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.641324 (E_RNA)
where:
Base-Base interactions energy: -374.343
where: short stacking energy: -155.566
Base-Backbone interact. energy: -0.994
local terms energy: -172.304879
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -48.396
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: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -545.039548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.039548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.039548 (E_RNA)
where:
Base-Base interactions energy: -368.807
where: short stacking energy: -157.970
Base-Backbone interact. energy: -0.168
local terms energy: -176.064248
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -39.013
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -53.348
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: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -529.788794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.788794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.788794 (E_RNA)
where:
Base-Base interactions energy: -366.819
where: short stacking energy: -158.595
Base-Backbone interact. energy: -0.526
local terms energy: -162.443845
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -31.541
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -47.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -507.901813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.901813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.901813 (E_RNA)
where:
Base-Base interactions energy: -342.893
where: short stacking energy: -140.895
Base-Backbone interact. energy: -0.394
local terms energy: -164.614720
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -40.987
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: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -499.028519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.028519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.028519 (E_RNA)
where:
Base-Base interactions energy: -326.540
where: short stacking energy: -134.478
Base-Backbone interact. energy: -0.090
local terms energy: -172.398855
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -43.697
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: 363
Temperature: 1.150000
Total energy: -448.316525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.316525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.316525 (E_RNA)
where:
Base-Base interactions energy: -301.938
where: short stacking energy: -132.662
Base-Backbone interact. energy: -0.330
local terms energy: -146.048665
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -39.225
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: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -371.769860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.769860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.769860 (E_RNA)
where:
Base-Base interactions energy: -234.207
where: short stacking energy: -101.948
Base-Backbone interact. energy: -0.360
local terms energy: -137.202072
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -221.782429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.782429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.782429 (E_RNA)
where:
Base-Base interactions energy: -118.314
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.012
local terms energy: -103.456540
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -159.077415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.077415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.077415 (E_RNA)
where:
Base-Base interactions energy: -58.275
where: short stacking energy: -48.337
Base-Backbone interact. energy: -0.690
local terms energy: -100.112380
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: 0.025
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: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -136.383132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.383132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.383132 (E_RNA)
where:
Base-Base interactions energy: -42.866
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.649
local terms energy: -92.867772
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: 9.080
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: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -554.214186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.214186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.214186 (E_RNA)
where:
Base-Base interactions energy: -383.822
where: short stacking energy: -157.569
Base-Backbone interact. energy: -0.535
local terms energy: -169.856851
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -53.285
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: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -564.008228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.008228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.008228 (E_RNA)
where:
Base-Base interactions energy: -384.730
where: short stacking energy: -169.427
Base-Backbone interact. energy: -0.222
local terms energy: -179.055948
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -40.968
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -47.777
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: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -546.429495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.429495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.429495 (E_RNA)
where:
Base-Base interactions energy: -363.094
where: short stacking energy: -156.230
Base-Backbone interact. energy: -0.046
local terms energy: -183.289225
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: -47.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -515.078534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.078534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.078534 (E_RNA)
where:
Base-Base interactions energy: -350.352
where: short stacking energy: -142.331
Base-Backbone interact. energy: -0.547
local terms energy: -164.179191
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -43.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -435.187037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.187037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.187037 (E_RNA)
where:
Base-Base interactions energy: -272.902
where: short stacking energy: -125.822
Base-Backbone interact. energy: -0.052
local terms energy: -162.233089
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -44.055
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: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -501.446927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.446927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.446927 (E_RNA)
where:
Base-Base interactions energy: -342.146
where: short stacking energy: -137.538
Base-Backbone interact. energy: -0.749
local terms energy: -158.552031
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -40.104
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: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -372.121714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.121714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.121714 (E_RNA)
where:
Base-Base interactions energy: -233.786
where: short stacking energy: -103.919
Base-Backbone interact. energy: -0.137
local terms energy: -138.198274
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -29.589
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -212.466673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.466673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.466673 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.772
local terms energy: -112.640067
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -160.860356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.860356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.860356 (E_RNA)
where:
Base-Base interactions energy: -65.278
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.285
local terms energy: -95.297393
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -5.616
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: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -161.614330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.614330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.614330 (E_RNA)
where:
Base-Base interactions energy: -72.293
where: short stacking energy: -56.580
Base-Backbone interact. energy: 0.002
local terms energy: -89.323326
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -10.216
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: 365
Temperature: 0.900000
Total energy: -555.638637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.638637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.638637 (E_RNA)
where:
Base-Base interactions energy: -368.633
where: short stacking energy: -154.339
Base-Backbone interact. energy: -1.094
local terms energy: -185.911554
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -38.722
flat angles P-C4'-P energy: -32.931
tors. eta vs tors. theta energy: -49.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -556.665823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.665823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.665823 (E_RNA)
where:
Base-Base interactions energy: -386.429
where: short stacking energy: -167.189
Base-Backbone interact. energy: -1.325
local terms energy: -168.911167
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -47.261
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -516.568326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.568326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.568326 (E_RNA)
where:
Base-Base interactions energy: -351.069
where: short stacking energy: -147.225
Base-Backbone interact. energy: 0.237
local terms energy: -165.736316
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -48.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -524.151408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.151408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.151408 (E_RNA)
where:
Base-Base interactions energy: -357.560
where: short stacking energy: -156.036
Base-Backbone interact. energy: -1.263
local terms energy: -165.328841
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -47.645
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: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -462.992953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.992953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.992953 (E_RNA)
where:
Base-Base interactions energy: -309.292
where: short stacking energy: -137.820
Base-Backbone interact. energy: 0.653
local terms energy: -154.353634
where:
bonds (distance) C4'-P energy: -34.152
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -39.533
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -501.924556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.924556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.924556 (E_RNA)
where:
Base-Base interactions energy: -343.246
where: short stacking energy: -134.648
Base-Backbone interact. energy: -0.200
local terms energy: -158.479038
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -36.285
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -45.534
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: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -380.826868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.826868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.826868 (E_RNA)
where:
Base-Base interactions energy: -243.116
where: short stacking energy: -106.602
Base-Backbone interact. energy: -0.992
local terms energy: -136.718506
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -27.013
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: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -156.368569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.368569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.368569 (E_RNA)
where:
Base-Base interactions energy: -56.863
where: short stacking energy: -55.530
Base-Backbone interact. energy: -0.238
local terms energy: -99.267230
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -17.008
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: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -160.556685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.556685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.556685 (E_RNA)
where:
Base-Base interactions energy: -44.147
where: short stacking energy: -37.220
Base-Backbone interact. energy: 0.976
local terms energy: -117.386033
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -11.676
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: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -143.794710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.794710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.794710 (E_RNA)
where:
Base-Base interactions energy: -62.628
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.792
local terms energy: -80.374784
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: 3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -566.755368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.755368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.755368 (E_RNA)
where:
Base-Base interactions energy: -388.698
where: short stacking energy: -161.958
Base-Backbone interact. energy: -1.042
local terms energy: -177.015529
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -45.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -542.776630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.776630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.776630 (E_RNA)
where:
Base-Base interactions energy: -363.195
where: short stacking energy: -158.134
Base-Backbone interact. energy: -0.208
local terms energy: -179.374075
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -33.713
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -51.799
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: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -524.073005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.073005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.073005 (E_RNA)
where:
Base-Base interactions energy: -355.005
where: short stacking energy: -148.572
Base-Backbone interact. energy: -0.444
local terms energy: -168.623885
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -51.406
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -498.087372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.087372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.087372 (E_RNA)
where:
Base-Base interactions energy: -327.720
where: short stacking energy: -146.069
Base-Backbone interact. energy: -0.621
local terms energy: -169.747036
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -29.101
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -44.237
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: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -492.923931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.923931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.923931 (E_RNA)
where:
Base-Base interactions energy: -342.118
where: short stacking energy: -135.202
Base-Backbone interact. energy: -0.165
local terms energy: -150.640983
where:
bonds (distance) C4'-P energy: -25.991
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -35.375
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -41.527
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: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -447.329699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.329699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.329699 (E_RNA)
where:
Base-Base interactions energy: -286.545
where: short stacking energy: -113.470
Base-Backbone interact. energy: 1.128
local terms energy: -161.912569
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -38.245
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: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -419.313378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.313378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.313378 (E_RNA)
where:
Base-Base interactions energy: -283.302
where: short stacking energy: -121.375
Base-Backbone interact. energy: -1.181
local terms energy: -134.830414
where:
bonds (distance) C4'-P energy: -25.231
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -33.945
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -172.164426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.164426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.164426 (E_RNA)
where:
Base-Base interactions energy: -67.860
where: short stacking energy: -52.662
Base-Backbone interact. energy: 0.325
local terms energy: -104.628649
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -171.970617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.970617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.970617 (E_RNA)
where:
Base-Base interactions energy: -72.606
where: short stacking energy: -41.517
Base-Backbone interact. energy: -1.067
local terms energy: -98.298277
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: 5.280
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: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -151.311690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.311690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.311690 (E_RNA)
where:
Base-Base interactions energy: -61.067
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.238
local terms energy: -90.007180
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: 5.280
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: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -573.715084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.715084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.715084 (E_RNA)
where:
Base-Base interactions energy: -391.300
where: short stacking energy: -156.290
Base-Backbone interact. energy: 0.335
local terms energy: -182.750774
where:
bonds (distance) C4'-P energy: -34.953
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -47.155
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: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -542.289235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.289235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.289235 (E_RNA)
where:
Base-Base interactions energy: -366.088
where: short stacking energy: -160.920
Base-Backbone interact. energy: -0.445
local terms energy: -175.757187
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -48.542
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: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -533.516186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.516186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.516186 (E_RNA)
where:
Base-Base interactions energy: -354.759
where: short stacking energy: -164.987
Base-Backbone interact. energy: -0.066
local terms energy: -178.691335
where:
bonds (distance) C4'-P energy: -38.642
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -50.994
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: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -521.094575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.094575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.094575 (E_RNA)
where:
Base-Base interactions energy: -360.382
where: short stacking energy: -147.248
Base-Backbone interact. energy: 0.202
local terms energy: -160.914133
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -44.615
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: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -502.839267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.839267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.839267 (E_RNA)
where:
Base-Base interactions energy: -341.196
where: short stacking energy: -144.579
Base-Backbone interact. energy: 1.852
local terms energy: -163.495158
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -43.735
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -432.122510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.122510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.122510 (E_RNA)
where:
Base-Base interactions energy: -297.685
where: short stacking energy: -128.402
Base-Backbone interact. energy: -0.046
local terms energy: -134.390977
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -34.055
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -432.017038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.017038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.017038 (E_RNA)
where:
Base-Base interactions energy: -281.164
where: short stacking energy: -112.109
Base-Backbone interact. energy: -0.423
local terms energy: -150.429870
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -33.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -171.313106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.313106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.313106 (E_RNA)
where:
Base-Base interactions energy: -68.896
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.686
local terms energy: -101.730870
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -162.761195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.761195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.761195 (E_RNA)
where:
Base-Base interactions energy: -53.448
where: short stacking energy: -47.770
Base-Backbone interact. energy: -0.132
local terms energy: -109.181260
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -33.725
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -139.595260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.595260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.595260 (E_RNA)
where:
Base-Base interactions energy: -42.479
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.445
local terms energy: -96.671969
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: 8.471
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: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -553.707761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.707761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.707761 (E_RNA)
where:
Base-Base interactions energy: -367.175
where: short stacking energy: -157.207
Base-Backbone interact. energy: -0.414
local terms energy: -186.119006
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -49.260
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: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -544.996348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.996348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.996348 (E_RNA)
where:
Base-Base interactions energy: -364.383
where: short stacking energy: -161.301
Base-Backbone interact. energy: 0.115
local terms energy: -180.729002
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -52.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -525.483455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.483455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.483455 (E_RNA)
where:
Base-Base interactions energy: -356.218
where: short stacking energy: -150.460
Base-Backbone interact. energy: -0.157
local terms energy: -169.107774
where:
bonds (distance) C4'-P energy: -29.906
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -45.519
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -533.574168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.574168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.574168 (E_RNA)
where:
Base-Base interactions energy: -356.010
where: short stacking energy: -149.373
Base-Backbone interact. energy: -0.683
local terms energy: -176.880862
where:
bonds (distance) C4'-P energy: -30.887
bonds (distance) P-C4' energy: -35.823
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -43.715
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: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -487.490362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.490362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.490362 (E_RNA)
where:
Base-Base interactions energy: -324.439
where: short stacking energy: -150.036
Base-Backbone interact. energy: -0.042
local terms energy: -163.009805
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -45.744
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: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -442.182489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.182489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.182489 (E_RNA)
where:
Base-Base interactions energy: -315.039
where: short stacking energy: -128.671
Base-Backbone interact. energy: -1.384
local terms energy: -125.759557
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -27.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -426.997821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.997821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.997821 (E_RNA)
where:
Base-Base interactions energy: -289.320
where: short stacking energy: -131.086
Base-Backbone interact. energy: 1.332
local terms energy: -139.010378
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -36.820
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -199.988685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.988685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.988685 (E_RNA)
where:
Base-Base interactions energy: -83.733
where: short stacking energy: -57.712
Base-Backbone interact. energy: -1.231
local terms energy: -115.024352
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -155.772457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.772457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.772457 (E_RNA)
where:
Base-Base interactions energy: -60.565
where: short stacking energy: -50.987
Base-Backbone interact. energy: 0.411
local terms energy: -95.618150
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: 3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -172.043384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.043384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.043384 (E_RNA)
where:
Base-Base interactions energy: -51.365
where: short stacking energy: -41.607
Base-Backbone interact. energy: 0.188
local terms energy: -120.866575
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -1.429
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: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -554.800950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.800950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.800950 (E_RNA)
where:
Base-Base interactions energy: -367.056
where: short stacking energy: -153.308
Base-Backbone interact. energy: -0.227
local terms energy: -187.517799
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -51.121
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: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -535.975434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.975434 (E_RNA)
where:
Base-Base interactions energy: -370.671
where: short stacking energy: -147.267
Base-Backbone interact. energy: -0.660
local terms energy: -164.644266
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -34.546
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -43.519
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -536.253480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.253480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.253480 (E_RNA)
where:
Base-Base interactions energy: -359.203
where: short stacking energy: -153.931
Base-Backbone interact. energy: -0.181
local terms energy: -176.869533
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -49.614
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: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -506.026174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.026174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.026174 (E_RNA)
where:
Base-Base interactions energy: -346.441
where: short stacking energy: -146.730
Base-Backbone interact. energy: 0.505
local terms energy: -160.090806
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -38.095
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -37.948
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: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -502.603175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.603175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.603175 (E_RNA)
where:
Base-Base interactions energy: -340.499
where: short stacking energy: -148.108
Base-Backbone interact. energy: -0.009
local terms energy: -162.095879
where:
bonds (distance) C4'-P energy: -33.550
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -46.454
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -433.536787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.536787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.536787 (E_RNA)
where:
Base-Base interactions energy: -283.307
where: short stacking energy: -126.190
Base-Backbone interact. energy: -0.062
local terms energy: -150.168183
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -32.040
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -41.302
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: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -447.629442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.629442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.629442 (E_RNA)
where:
Base-Base interactions energy: -303.021
where: short stacking energy: -120.923
Base-Backbone interact. energy: -0.096
local terms energy: -144.512109
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -37.758
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -173.691897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.691897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.691897 (E_RNA)
where:
Base-Base interactions energy: -86.689
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.509
local terms energy: -86.493520
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: 3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -145.364523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.364523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.364523 (E_RNA)
where:
Base-Base interactions energy: -47.975
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.389
local terms energy: -97.000413
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -2.890
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: 369
Temperature: 1.350000
Total energy: -133.192128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.192128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.192128 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -32.709
Base-Backbone interact. energy: 0.529
local terms energy: -101.012127
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -30.804
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: 2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -573.015164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.015164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.015164 (E_RNA)
where:
Base-Base interactions energy: -379.810
where: short stacking energy: -166.527
Base-Backbone interact. energy: -1.263
local terms energy: -191.942094
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -37.887
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -52.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -544.222816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.222816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.222816 (E_RNA)
where:
Base-Base interactions energy: -372.566
where: short stacking energy: -153.051
Base-Backbone interact. energy: -0.848
local terms energy: -170.808379
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -49.921
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: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -523.637308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.637308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.637308 (E_RNA)
where:
Base-Base interactions energy: -355.491
where: short stacking energy: -151.079
Base-Backbone interact. energy: -0.511
local terms energy: -167.635085
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -51.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -509.875423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.875423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.875423 (E_RNA)
where:
Base-Base interactions energy: -350.150
where: short stacking energy: -151.037
Base-Backbone interact. energy: -0.260
local terms energy: -159.465495
where:
bonds (distance) C4'-P energy: -37.287
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -501.256039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.256039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.256039 (E_RNA)
where:
Base-Base interactions energy: -341.760
where: short stacking energy: -134.073
Base-Backbone interact. energy: -0.019
local terms energy: -159.477195
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -49.309
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: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -429.157843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.157843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.157843 (E_RNA)
where:
Base-Base interactions energy: -278.137
where: short stacking energy: -119.580
Base-Backbone interact. energy: -0.208
local terms energy: -150.812929
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -38.198
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: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -453.569860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.569860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.569860 (E_RNA)
where:
Base-Base interactions energy: -317.330
where: short stacking energy: -130.997
Base-Backbone interact. energy: 1.581
local terms energy: -137.820804
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -20.657
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: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -177.821138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.821138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.821138 (E_RNA)
where:
Base-Base interactions energy: -73.982
where: short stacking energy: -44.624
Base-Backbone interact. energy: -0.252
local terms energy: -103.586680
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -32.040
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: 2.321
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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -160.069002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.069002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.069002 (E_RNA)
where:
Base-Base interactions energy: -47.367
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.609
local terms energy: -112.092932
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -4.644
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: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -139.010495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.010495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.010495 (E_RNA)
where:
Base-Base interactions energy: -52.092
where: short stacking energy: -50.572
Base-Backbone interact. energy: -0.553
local terms energy: -86.366078
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: 8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -555.112200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.112200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.112200 (E_RNA)
where:
Base-Base interactions energy: -377.400
where: short stacking energy: -164.113
Base-Backbone interact. energy: -0.519
local terms energy: -177.193571
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -52.740
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -554.990192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.990192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.990192 (E_RNA)
where:
Base-Base interactions energy: -389.584
where: short stacking energy: -156.274
Base-Backbone interact. energy: -0.434
local terms energy: -164.972558
where:
bonds (distance) C4'-P energy: -31.468
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -46.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -537.097392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.097392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.097392 (E_RNA)
where:
Base-Base interactions energy: -374.633
where: short stacking energy: -152.255
Base-Backbone interact. energy: -0.593
local terms energy: -161.871234
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -38.314
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: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -505.390781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.390781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.390781 (E_RNA)
where:
Base-Base interactions energy: -343.641
where: short stacking energy: -134.589
Base-Backbone interact. energy: 0.235
local terms energy: -161.984839
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -37.774
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -45.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -499.247322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.247322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.247322 (E_RNA)
where:
Base-Base interactions energy: -338.016
where: short stacking energy: -128.922
Base-Backbone interact. energy: 0.497
local terms energy: -161.728565
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -35.446
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -45.171
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: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -444.124907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.124907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.124907 (E_RNA)
where:
Base-Base interactions energy: -298.719
where: short stacking energy: -135.747
Base-Backbone interact. energy: -0.077
local terms energy: -145.328277
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -37.894
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: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -464.293897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.293897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.293897 (E_RNA)
where:
Base-Base interactions energy: -313.195
where: short stacking energy: -140.472
Base-Backbone interact. energy: -0.502
local terms energy: -150.596730
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -34.262
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -40.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -157.361355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.361355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.361355 (E_RNA)
where:
Base-Base interactions energy: -72.045
where: short stacking energy: -41.746
Base-Backbone interact. energy: 0.365
local terms energy: -85.680433
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: 2.640
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: 371
Temperature: 1.300000
Total energy: -162.608910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.608910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.608910 (E_RNA)
where:
Base-Base interactions energy: -60.269
where: short stacking energy: -47.480
Base-Backbone interact. energy: 2.072
local terms energy: -104.411768
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -0.566
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: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -165.484670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.484670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.484670 (E_RNA)
where:
Base-Base interactions energy: -63.640
where: short stacking energy: -34.126
Base-Backbone interact. energy: -1.547
local terms energy: -100.297695
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -30.828
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: 1.561
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: 372
Temperature: 0.900000
Total energy: -559.486096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.486096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.486096 (E_RNA)
where:
Base-Base interactions energy: -369.327
where: short stacking energy: -154.182
Base-Backbone interact. energy: -0.108
local terms energy: -190.051477
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -26.242
tors. eta vs tors. theta energy: -52.308
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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -539.944084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.944084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.944084 (E_RNA)
where:
Base-Base interactions energy: -371.813
where: short stacking energy: -153.585
Base-Backbone interact. energy: 0.116
local terms energy: -168.246713
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -47.790
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: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -536.597280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.597280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.597280 (E_RNA)
where:
Base-Base interactions energy: -367.324
where: short stacking energy: -156.503
Base-Backbone interact. energy: -0.307
local terms energy: -168.966080
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -32.191
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -45.540
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: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -517.534086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.534086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.534086 (E_RNA)
where:
Base-Base interactions energy: -365.339
where: short stacking energy: -155.048
Base-Backbone interact. energy: -0.200
local terms energy: -151.994976
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -30.692
flat angles C4'-P-C4' energy: -35.217
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -46.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -509.930856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.930856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.930856 (E_RNA)
where:
Base-Base interactions energy: -342.205
where: short stacking energy: -149.443
Base-Backbone interact. energy: -0.512
local terms energy: -167.213822
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -48.414
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: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -427.389473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.389473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.389473 (E_RNA)
where:
Base-Base interactions energy: -275.030
where: short stacking energy: -133.983
Base-Backbone interact. energy: -0.073
local terms energy: -152.285997
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -35.252
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -456.607758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.607758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.607758 (E_RNA)
where:
Base-Base interactions energy: -318.554
where: short stacking energy: -134.362
Base-Backbone interact. energy: -0.084
local terms energy: -137.969484
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -41.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -166.213542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.213542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.213542 (E_RNA)
where:
Base-Base interactions energy: -65.401
where: short stacking energy: -65.401
Base-Backbone interact. energy: 0.515
local terms energy: -101.328064
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -159.196735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.196735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.196735 (E_RNA)
where:
Base-Base interactions energy: -63.123
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.798
local terms energy: -95.275328
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -7.156
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: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -176.996754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.996754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.996754 (E_RNA)
where:
Base-Base interactions energy: -91.559
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.233
local terms energy: -85.204125
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -559.128498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.128498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.128498 (E_RNA)
where:
Base-Base interactions energy: -389.622
where: short stacking energy: -154.287
Base-Backbone interact. energy: 0.515
local terms energy: -170.021321
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -561.481659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.481659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.481659 (E_RNA)
where:
Base-Base interactions energy: -384.599
where: short stacking energy: -172.551
Base-Backbone interact. energy: -0.808
local terms energy: -176.074242
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -51.447
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: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -525.590432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.590432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.590432 (E_RNA)
where:
Base-Base interactions energy: -363.275
where: short stacking energy: -147.997
Base-Backbone interact. energy: -0.272
local terms energy: -162.043215
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -46.529
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: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -518.661893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.661893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.661893 (E_RNA)
where:
Base-Base interactions energy: -348.668
where: short stacking energy: -162.038
Base-Backbone interact. energy: -0.359
local terms energy: -169.634190
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -27.765
flat angles C4'-P-C4' energy: -38.564
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -52.611
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -517.201079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.201079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.201079 (E_RNA)
where:
Base-Base interactions energy: -350.346
where: short stacking energy: -144.996
Base-Backbone interact. energy: -0.932
local terms energy: -165.922328
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -46.986
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: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -474.721596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.721596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.721596 (E_RNA)
where:
Base-Base interactions energy: -314.888
where: short stacking energy: -143.318
Base-Backbone interact. energy: 0.225
local terms energy: -160.058232
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -44.196
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: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -376.932236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.932236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.932236 (E_RNA)
where:
Base-Base interactions energy: -247.825
where: short stacking energy: -101.645
Base-Backbone interact. energy: -0.207
local terms energy: -128.899647
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -177.712101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.712101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.712101 (E_RNA)
where:
Base-Base interactions energy: -80.177
where: short stacking energy: -50.086
Base-Backbone interact. energy: -1.848
local terms energy: -95.687780
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -0.447
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: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -156.084067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.084067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.084067 (E_RNA)
where:
Base-Base interactions energy: -45.678
where: short stacking energy: -38.750
Base-Backbone interact. energy: -1.663
local terms energy: -108.743303
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -4.449
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -135.333421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.333421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.333421 (E_RNA)
where:
Base-Base interactions energy: -44.180
where: short stacking energy: -28.271
Base-Backbone interact. energy: 1.794
local terms energy: -92.947696
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: 6.184
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: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -567.366544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.366544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.366544 (E_RNA)
where:
Base-Base interactions energy: -380.500
where: short stacking energy: -162.071
Base-Backbone interact. energy: -1.633
local terms energy: -185.233529
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -49.785
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: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -551.514598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.514598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.514598 (E_RNA)
where:
Base-Base interactions energy: -376.308
where: short stacking energy: -159.764
Base-Backbone interact. energy: -0.484
local terms energy: -174.721803
where:
bonds (distance) C4'-P energy: -31.772
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -51.242
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: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -522.783598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.783598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.783598 (E_RNA)
where:
Base-Base interactions energy: -351.054
where: short stacking energy: -138.178
Base-Backbone interact. energy: -0.290
local terms energy: -171.439819
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -38.508
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -44.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -526.018220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.018220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.018220 (E_RNA)
where:
Base-Base interactions energy: -358.657
where: short stacking energy: -150.094
Base-Backbone interact. energy: -0.276
local terms energy: -167.084863
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -44.441
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: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -476.450631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.450631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.450631 (E_RNA)
where:
Base-Base interactions energy: -332.625
where: short stacking energy: -147.199
Base-Backbone interact. energy: 0.295
local terms energy: -144.120073
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -43.772
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: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -491.524763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.524763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.524763 (E_RNA)
where:
Base-Base interactions energy: -327.457
where: short stacking energy: -129.499
Base-Backbone interact. energy: 0.247
local terms energy: -164.314317
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -39.462
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: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -413.667239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.667239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.667239 (E_RNA)
where:
Base-Base interactions energy: -276.373
where: short stacking energy: -120.224
Base-Backbone interact. energy: -0.699
local terms energy: -136.595026
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -39.548
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: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -179.131469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.131469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.131469 (E_RNA)
where:
Base-Base interactions energy: -86.981
where: short stacking energy: -48.053
Base-Backbone interact. energy: -1.462
local terms energy: -90.688499
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: 4.127
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: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -167.372253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.372253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.372253 (E_RNA)
where:
Base-Base interactions energy: -61.376
where: short stacking energy: -52.468
Base-Backbone interact. energy: -0.239
local terms energy: -105.756930
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -7.415
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: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -140.605787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.605787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.605787 (E_RNA)
where:
Base-Base interactions energy: -53.257
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.266
local terms energy: -87.082867
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -556.896863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.896863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.896863 (E_RNA)
where:
Base-Base interactions energy: -374.249
where: short stacking energy: -161.650
Base-Backbone interact. energy: -0.397
local terms energy: -182.250550
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -38.759
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -53.471
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: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -538.650865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.650865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.650865 (E_RNA)
where:
Base-Base interactions energy: -358.645
where: short stacking energy: -165.218
Base-Backbone interact. energy: -0.310
local terms energy: -179.696093
where:
bonds (distance) C4'-P energy: -29.157
bonds (distance) P-C4' energy: -33.898
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -50.039
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: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -531.531761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.531761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.531761 (E_RNA)
where:
Base-Base interactions energy: -364.114
where: short stacking energy: -140.947
Base-Backbone interact. energy: -0.238
local terms energy: -167.179262
where:
bonds (distance) C4'-P energy: -30.713
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -36.994
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -42.424
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: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -510.434288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.434288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.434288 (E_RNA)
where:
Base-Base interactions energy: -341.393
where: short stacking energy: -143.264
Base-Backbone interact. energy: -0.472
local terms energy: -168.568808
where:
bonds (distance) C4'-P energy: -32.104
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: -46.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -459.868037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.868037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.868037 (E_RNA)
where:
Base-Base interactions energy: -309.724
where: short stacking energy: -143.722
Base-Backbone interact. energy: 0.322
local terms energy: -150.465842
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -41.940
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: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -487.684551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.684551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.684551 (E_RNA)
where:
Base-Base interactions energy: -331.036
where: short stacking energy: -142.301
Base-Backbone interact. energy: -0.428
local terms energy: -156.221382
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -44.422
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: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -423.933365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.933365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.933365 (E_RNA)
where:
Base-Base interactions energy: -281.179
where: short stacking energy: -120.499
Base-Backbone interact. energy: -0.289
local terms energy: -142.465481
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -31.834
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: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -172.433001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.433001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.433001 (E_RNA)
where:
Base-Base interactions energy: -69.359
where: short stacking energy: -49.703
Base-Backbone interact. energy: -1.956
local terms energy: -101.118269
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -31.192
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -159.028813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.028813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.028813 (E_RNA)
where:
Base-Base interactions energy: -77.328
where: short stacking energy: -55.207
Base-Backbone interact. energy: 2.080
local terms energy: -83.780410
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -3.100
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: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -146.529273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.529273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.529273 (E_RNA)
where:
Base-Base interactions energy: -54.529
where: short stacking energy: -42.842
Base-Backbone interact. energy: 1.711
local terms energy: -93.711526
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: 8.251
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: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -549.403775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.403775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.403775 (E_RNA)
where:
Base-Base interactions energy: -374.306
where: short stacking energy: -157.453
Base-Backbone interact. energy: -0.074
local terms energy: -175.024639
where:
bonds (distance) C4'-P energy: -29.405
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -52.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -544.779979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.779979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.779979 (E_RNA)
where:
Base-Base interactions energy: -369.386
where: short stacking energy: -166.901
Base-Backbone interact. energy: -0.005
local terms energy: -175.389250
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -51.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -540.673000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.673000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.673000 (E_RNA)
where:
Base-Base interactions energy: -370.162
where: short stacking energy: -161.219
Base-Backbone interact. energy: 1.088
local terms energy: -171.599137
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -33.704
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -48.730
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: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -532.142447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.142447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.142447 (E_RNA)
where:
Base-Base interactions energy: -359.507
where: short stacking energy: -141.861
Base-Backbone interact. energy: -0.285
local terms energy: -172.350341
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -490.762273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.762273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.762273 (E_RNA)
where:
Base-Base interactions energy: -325.573
where: short stacking energy: -138.461
Base-Backbone interact. energy: -0.113
local terms energy: -165.076974
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -31.618
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -44.033
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: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -474.608721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.608721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.608721 (E_RNA)
where:
Base-Base interactions energy: -300.603
where: short stacking energy: -141.833
Base-Backbone interact. energy: -0.083
local terms energy: -173.923067
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -406.443906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.443906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.443906 (E_RNA)
where:
Base-Base interactions energy: -269.596
where: short stacking energy: -108.603
Base-Backbone interact. energy: -0.507
local terms energy: -136.340343
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -24.755
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: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -175.359666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.359666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.359666 (E_RNA)
where:
Base-Base interactions energy: -67.470
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.308
local terms energy: -107.581791
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -19.667
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: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -175.902407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.902407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.902407 (E_RNA)
where:
Base-Base interactions energy: -79.344
where: short stacking energy: -45.222
Base-Backbone interact. energy: 0.200
local terms energy: -96.758637
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -2.480
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: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -143.677449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.677449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.677449 (E_RNA)
where:
Base-Base interactions energy: -43.124
where: short stacking energy: -41.851
Base-Backbone interact. energy: -0.250
local terms energy: -100.303705
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: 0.281
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: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -556.906201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.906201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.906201 (E_RNA)
where:
Base-Base interactions energy: -377.107
where: short stacking energy: -171.455
Base-Backbone interact. energy: -0.144
local terms energy: -179.654812
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -33.902
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -50.082
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -547.106811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.106811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.106811 (E_RNA)
where:
Base-Base interactions energy: -382.038
where: short stacking energy: -160.714
Base-Backbone interact. energy: -0.287
local terms energy: -164.782421
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -47.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -543.247514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.247514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.247514 (E_RNA)
where:
Base-Base interactions energy: -360.886
where: short stacking energy: -151.045
Base-Backbone interact. energy: -0.651
local terms energy: -181.710404
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -41.286
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -47.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -496.763695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.763695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.763695 (E_RNA)
where:
Base-Base interactions energy: -326.973
where: short stacking energy: -144.594
Base-Backbone interact. energy: -1.462
local terms energy: -168.329474
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -36.303
flat angles P-C4'-P energy: -26.394
tors. eta vs tors. theta energy: -41.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -505.288432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.288432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.288432 (E_RNA)
where:
Base-Base interactions energy: -346.110
where: short stacking energy: -143.211
Base-Backbone interact. energy: -0.440
local terms energy: -158.738800
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -41.177
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -480.448223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.448223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.448223 (E_RNA)
where:
Base-Base interactions energy: -321.395
where: short stacking energy: -141.265
Base-Backbone interact. energy: -0.014
local terms energy: -159.038649
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -44.818
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: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -415.631609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.631609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.631609 (E_RNA)
where:
Base-Base interactions energy: -270.612
where: short stacking energy: -107.466
Base-Backbone interact. energy: -3.165
local terms energy: -141.854879
where:
bonds (distance) C4'-P energy: -28.213
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -176.492849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.492849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.492849 (E_RNA)
where:
Base-Base interactions energy: -88.725
where: short stacking energy: -55.829
Base-Backbone interact. energy: -1.164
local terms energy: -86.604062
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -31.788
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -2.343
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: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -210.712789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.712789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.712789 (E_RNA)
where:
Base-Base interactions energy: -110.079
where: short stacking energy: -57.665
Base-Backbone interact. energy: -0.370
local terms energy: -100.264143
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -5.267
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: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -133.735699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.735699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.735699 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -36.792
Base-Backbone interact. energy: -0.490
local terms energy: -81.755532
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: 3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -557.764794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.764794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.764794 (E_RNA)
where:
Base-Base interactions energy: -375.019
where: short stacking energy: -171.853
Base-Backbone interact. energy: 0.292
local terms energy: -183.038076
where:
bonds (distance) C4'-P energy: -33.698
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -52.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -546.837390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.837390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.837390 (E_RNA)
where:
Base-Base interactions energy: -369.310
where: short stacking energy: -153.223
Base-Backbone interact. energy: 0.221
local terms energy: -177.748198
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -38.469
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -47.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -536.400240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.400240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.400240 (E_RNA)
where:
Base-Base interactions energy: -368.813
where: short stacking energy: -159.451
Base-Backbone interact. energy: 0.812
local terms energy: -168.399303
where:
bonds (distance) C4'-P energy: -37.305
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -54.063
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: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -510.162106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.162106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.162106 (E_RNA)
where:
Base-Base interactions energy: -342.983
where: short stacking energy: -151.362
Base-Backbone interact. energy: -0.435
local terms energy: -166.744882
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -35.557
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -42.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -502.466325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.466325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.466325 (E_RNA)
where:
Base-Base interactions energy: -340.738
where: short stacking energy: -144.305
Base-Backbone interact. energy: -0.084
local terms energy: -161.644287
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -45.700
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: 378
Temperature: 1.150000
Total energy: -462.747888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.747888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.747888 (E_RNA)
where:
Base-Base interactions energy: -305.692
where: short stacking energy: -137.013
Base-Backbone interact. energy: -0.261
local terms energy: -156.794932
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -39.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -388.271943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.271943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.271943 (E_RNA)
where:
Base-Base interactions energy: -266.568
where: short stacking energy: -109.191
Base-Backbone interact. energy: -0.373
local terms energy: -121.330539
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -31.324
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: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -152.465136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.465136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.465136 (E_RNA)
where:
Base-Base interactions energy: -54.295
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.586
local terms energy: -97.583704
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: 1.040
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: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -161.833597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.833597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.833597 (E_RNA)
where:
Base-Base interactions energy: -76.502
where: short stacking energy: -41.218
Base-Backbone interact. energy: -1.021
local terms energy: -84.310434
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: 6.132
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: 378
Temperature: 1.350000
Total energy: -151.324383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.324383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.324383 (E_RNA)
where:
Base-Base interactions energy: -77.782
where: short stacking energy: -46.200
Base-Backbone interact. energy: -1.111
local terms energy: -72.431375
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: 3.083
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -550.098851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.098851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.098851 (E_RNA)
where:
Base-Base interactions energy: -372.929
where: short stacking energy: -161.057
Base-Backbone interact. energy: -0.260
local terms energy: -176.909719
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -50.486
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -569.156678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.156678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.156678 (E_RNA)
where:
Base-Base interactions energy: -386.762
where: short stacking energy: -161.000
Base-Backbone interact. energy: -0.832
local terms energy: -181.562511
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -26.153
tors. eta vs tors. theta energy: -52.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -517.259834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.259834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.259834 (E_RNA)
where:
Base-Base interactions energy: -344.589
where: short stacking energy: -148.904
Base-Backbone interact. energy: 0.194
local terms energy: -172.864806
where:
bonds (distance) C4'-P energy: -33.410
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -35.774
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -48.314
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: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -499.661401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.661401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.661401 (E_RNA)
where:
Base-Base interactions energy: -348.276
where: short stacking energy: -148.645
Base-Backbone interact. energy: 1.789
local terms energy: -153.174371
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -43.165
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: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -521.670856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.670856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.670856 (E_RNA)
where:
Base-Base interactions energy: -357.447
where: short stacking energy: -158.698
Base-Backbone interact. energy: -0.062
local terms energy: -164.161658
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -48.023
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: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -473.358573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.358573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.358573 (E_RNA)
where:
Base-Base interactions energy: -340.557
where: short stacking energy: -140.890
Base-Backbone interact. energy: -0.845
local terms energy: -131.956549
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -41.798
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: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -375.274003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.274003 (E_RNA)
where:
Base-Base interactions energy: -244.694
where: short stacking energy: -105.742
Base-Backbone interact. energy: 3.069
local terms energy: -133.649309
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -18.333
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: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -230.201515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.201515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.201515 (E_RNA)
where:
Base-Base interactions energy: -121.945
where: short stacking energy: -60.399
Base-Backbone interact. energy: -1.404
local terms energy: -106.852965
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -28.897
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -4.390
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: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -154.209102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.209102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.209102 (E_RNA)
where:
Base-Base interactions energy: -57.456
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.681
local terms energy: -96.071903
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -26.510
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -2.917
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: 379
Temperature: 1.350000
Total energy: -189.904847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.904847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.904847 (E_RNA)
where:
Base-Base interactions energy: -85.561
where: short stacking energy: -46.592
Base-Backbone interact. energy: -0.541
local terms energy: -103.803177
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -35.904
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -12.344
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: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -561.721277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.721277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.721277 (E_RNA)
where:
Base-Base interactions energy: -382.988
where: short stacking energy: -162.238
Base-Backbone interact. energy: -0.011
local terms energy: -178.722172
where:
bonds (distance) C4'-P energy: -31.709
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -50.144
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: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -556.867359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.867359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.867359 (E_RNA)
where:
Base-Base interactions energy: -371.134
where: short stacking energy: -167.165
Base-Backbone interact. energy: -1.119
local terms energy: -184.613843
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -37.934
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -51.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -514.748129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.748129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.748129 (E_RNA)
where:
Base-Base interactions energy: -344.751
where: short stacking energy: -142.574
Base-Backbone interact. energy: 0.455
local terms energy: -170.452260
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -40.918
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -512.899843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.899843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.899843 (E_RNA)
where:
Base-Base interactions energy: -346.248
where: short stacking energy: -153.162
Base-Backbone interact. energy: -0.574
local terms energy: -166.078120
where:
bonds (distance) C4'-P energy: -34.341
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -47.647
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: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -478.781035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.781035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.781035 (E_RNA)
where:
Base-Base interactions energy: -323.862
where: short stacking energy: -136.577
Base-Backbone interact. energy: -0.190
local terms energy: -154.728912
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -32.330
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -504.658481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.658481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.658481 (E_RNA)
where:
Base-Base interactions energy: -338.702
where: short stacking energy: -146.560
Base-Backbone interact. energy: -1.443
local terms energy: -164.513332
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -45.531
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -392.095408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.095408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.095408 (E_RNA)
where:
Base-Base interactions energy: -264.549
where: short stacking energy: -112.830
Base-Backbone interact. energy: -0.505
local terms energy: -127.041302
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -28.083
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: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -258.473920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.473920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.473920 (E_RNA)
where:
Base-Base interactions energy: -167.788
where: short stacking energy: -79.347
Base-Backbone interact. energy: -1.057
local terms energy: -89.628761
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -153.166466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.166466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.166466 (E_RNA)
where:
Base-Base interactions energy: -62.549
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.407
local terms energy: -90.210321
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -9.736
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: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -148.667480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.667480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.667480 (E_RNA)
where:
Base-Base interactions energy: -49.366
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.477
local terms energy: -98.824873
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -0.228
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -549.797958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.797958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.797958 (E_RNA)
where:
Base-Base interactions energy: -369.122
where: short stacking energy: -151.859
Base-Backbone interact. energy: -0.619
local terms energy: -180.057054
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -51.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -534.691562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.691562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.691562 (E_RNA)
where:
Base-Base interactions energy: -362.207
where: short stacking energy: -149.087
Base-Backbone interact. energy: -1.206
local terms energy: -171.278087
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -43.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -548.926349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.926349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.926349 (E_RNA)
where:
Base-Base interactions energy: -369.415
where: short stacking energy: -158.747
Base-Backbone interact. energy: -0.885
local terms energy: -178.626747
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -37.710
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -53.634
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -513.984967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.984967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.984967 (E_RNA)
where:
Base-Base interactions energy: -334.611
where: short stacking energy: -148.483
Base-Backbone interact. energy: -0.550
local terms energy: -178.823820
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -47.792
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: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -439.965151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.965151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.965151 (E_RNA)
where:
Base-Base interactions energy: -294.047
where: short stacking energy: -134.490
Base-Backbone interact. energy: -0.185
local terms energy: -145.732471
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -40.242
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -486.566036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.566036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.566036 (E_RNA)
where:
Base-Base interactions energy: -334.960
where: short stacking energy: -140.539
Base-Backbone interact. energy: -0.272
local terms energy: -151.334240
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -39.549
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -385.433284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.433284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.433284 (E_RNA)
where:
Base-Base interactions energy: -238.286
where: short stacking energy: -104.963
Base-Backbone interact. energy: -0.022
local terms energy: -147.125010
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -31.179
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: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -314.222493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.222493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.222493 (E_RNA)
where:
Base-Base interactions energy: -209.450
where: short stacking energy: -77.895
Base-Backbone interact. energy: -1.675
local terms energy: -103.097611
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -146.874121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.874121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.874121 (E_RNA)
where:
Base-Base interactions energy: -65.229
where: short stacking energy: -43.550
Base-Backbone interact. energy: 0.610
local terms energy: -82.254676
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -3.219
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: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -146.560249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.560249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.560249 (E_RNA)
where:
Base-Base interactions energy: -55.180
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.326
local terms energy: -91.054995
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -28.339
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -1.526
tors. eta vs tors. theta energy: -10.564
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: 382
Temperature: 0.900000
Total energy: -547.207951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.207951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.207951 (E_RNA)
where:
Base-Base interactions energy: -365.858
where: short stacking energy: -160.408
Base-Backbone interact. energy: -1.013
local terms energy: -180.336475
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -37.804
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -49.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -553.844486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.844486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.844486 (E_RNA)
where:
Base-Base interactions energy: -384.670
where: short stacking energy: -158.865
Base-Backbone interact. energy: -0.108
local terms energy: -169.066733
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -35.082
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -47.973
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: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -528.529182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.529182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.529182 (E_RNA)
where:
Base-Base interactions energy: -356.297
where: short stacking energy: -146.087
Base-Backbone interact. energy: -1.285
local terms energy: -170.947653
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -46.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -502.366819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.366819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.366819 (E_RNA)
where:
Base-Base interactions energy: -346.602
where: short stacking energy: -140.066
Base-Backbone interact. energy: -0.141
local terms energy: -155.624268
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -42.597
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: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -496.305401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.305401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.305401 (E_RNA)
where:
Base-Base interactions energy: -338.855
where: short stacking energy: -137.787
Base-Backbone interact. energy: -0.122
local terms energy: -157.328738
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -35.580
flat angles C4'-P-C4' energy: -35.472
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -42.145
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: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -438.700587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.700587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.700587 (E_RNA)
where:
Base-Base interactions energy: -297.311
where: short stacking energy: -140.582
Base-Backbone interact. energy: 0.927
local terms energy: -142.316341
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -37.284
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -371.784197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.784197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.784197 (E_RNA)
where:
Base-Base interactions energy: -241.683
where: short stacking energy: -101.827
Base-Backbone interact. energy: -1.388
local terms energy: -128.713098
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -27.863
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: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -368.922348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.922348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.922348 (E_RNA)
where:
Base-Base interactions energy: -233.531
where: short stacking energy: -90.412
Base-Backbone interact. energy: -0.211
local terms energy: -135.181002
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -145.920253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.920253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.920253 (E_RNA)
where:
Base-Base interactions energy: -51.772
where: short stacking energy: -42.627
Base-Backbone interact. energy: 0.535
local terms energy: -94.684000
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -30.329
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -0.150
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: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -144.396858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.396858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.396858 (E_RNA)
where:
Base-Base interactions energy: -41.707
where: short stacking energy: -36.825
Base-Backbone interact. energy: 0.669
local terms energy: -103.359144
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -541.299084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.299084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.299084 (E_RNA)
where:
Base-Base interactions energy: -374.883
where: short stacking energy: -163.554
Base-Backbone interact. energy: -0.303
local terms energy: -166.112629
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -48.049
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: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -552.762860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.762860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.762860 (E_RNA)
where:
Base-Base interactions energy: -375.541
where: short stacking energy: -161.671
Base-Backbone interact. energy: -1.249
local terms energy: -175.972771
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -53.620
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: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -536.959783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.959783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.959783 (E_RNA)
where:
Base-Base interactions energy: -372.538
where: short stacking energy: -146.959
Base-Backbone interact. energy: 0.349
local terms energy: -164.770206
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -46.801
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: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -514.321259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.321259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.321259 (E_RNA)
where:
Base-Base interactions energy: -345.771
where: short stacking energy: -143.157
Base-Backbone interact. energy: -0.072
local terms energy: -168.478793
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -46.785
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: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -501.507803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.507803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.507803 (E_RNA)
where:
Base-Base interactions energy: -347.208
where: short stacking energy: -142.411
Base-Backbone interact. energy: -0.503
local terms energy: -153.796180
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -42.421
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: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -404.430612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.430612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.430612 (E_RNA)
where:
Base-Base interactions energy: -262.143
where: short stacking energy: -114.569
Base-Backbone interact. energy: -0.485
local terms energy: -141.803329
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -34.513
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -31.961
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: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -428.858678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.858678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.858678 (E_RNA)
where:
Base-Base interactions energy: -286.794
where: short stacking energy: -139.539
Base-Backbone interact. energy: 0.981
local terms energy: -143.045640
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -40.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -381.979328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.979328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.979328 (E_RNA)
where:
Base-Base interactions energy: -254.622
where: short stacking energy: -103.776
Base-Backbone interact. energy: 0.452
local terms energy: -127.809829
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -24.988
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: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -149.538124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.538124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.538124 (E_RNA)
where:
Base-Base interactions energy: -48.491
where: short stacking energy: -46.580
Base-Backbone interact. energy: -0.793
local terms energy: -100.253396
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -158.169552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.169552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.169552 (E_RNA)
where:
Base-Base interactions energy: -62.996
where: short stacking energy: -47.152
Base-Backbone interact. energy: -0.846
local terms energy: -94.327792
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -550.349908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.349908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.349908 (E_RNA)
where:
Base-Base interactions energy: -372.801
where: short stacking energy: -170.754
Base-Backbone interact. energy: -0.048
local terms energy: -177.501202
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -49.761
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: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -540.017500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.017500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.017500 (E_RNA)
where:
Base-Base interactions energy: -371.827
where: short stacking energy: -163.452
Base-Backbone interact. energy: -0.012
local terms energy: -168.179251
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -47.298
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: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -529.348379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.348379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.348379 (E_RNA)
where:
Base-Base interactions energy: -364.696
where: short stacking energy: -155.601
Base-Backbone interact. energy: -0.218
local terms energy: -164.434320
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -45.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -519.289893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.289893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.289893 (E_RNA)
where:
Base-Base interactions energy: -352.916
where: short stacking energy: -146.794
Base-Backbone interact. energy: -0.784
local terms energy: -165.589317
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -36.986
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -46.485
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: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -511.632182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.632182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.632182 (E_RNA)
where:
Base-Base interactions energy: -341.912
where: short stacking energy: -150.556
Base-Backbone interact. energy: 1.045
local terms energy: -170.764712
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -34.577
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -43.878
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: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -358.988671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.988671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.988671 (E_RNA)
where:
Base-Base interactions energy: -240.324
where: short stacking energy: -93.975
Base-Backbone interact. energy: 0.683
local terms energy: -119.347363
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -21.459
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: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -414.296688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.296688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.296688 (E_RNA)
where:
Base-Base interactions energy: -270.227
where: short stacking energy: -108.095
Base-Backbone interact. energy: 1.925
local terms energy: -145.995090
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -29.060
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -34.289
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: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -413.293728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.293728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.293728 (E_RNA)
where:
Base-Base interactions energy: -270.570
where: short stacking energy: -116.014
Base-Backbone interact. energy: 1.369
local terms energy: -144.092784
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -148.385739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.385739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.385739 (E_RNA)
where:
Base-Base interactions energy: -54.986
where: short stacking energy: -44.180
Base-Backbone interact. energy: -1.030
local terms energy: -92.370321
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -144.038783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.038783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.038783 (E_RNA)
where:
Base-Base interactions energy: -52.539
where: short stacking energy: -42.119
Base-Backbone interact. energy: -0.482
local terms energy: -91.017728
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -2.754
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: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -553.623907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.623907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.623907 (E_RNA)
where:
Base-Base interactions energy: -378.488
where: short stacking energy: -172.296
Base-Backbone interact. energy: -0.779
local terms energy: -174.357015
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -36.058
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -53.256
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: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -552.165700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.165700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.165700 (E_RNA)
where:
Base-Base interactions energy: -380.163
where: short stacking energy: -155.629
Base-Backbone interact. energy: -0.450
local terms energy: -171.553199
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -45.704
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: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -526.151478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.151478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.151478 (E_RNA)
where:
Base-Base interactions energy: -356.209
where: short stacking energy: -147.641
Base-Backbone interact. energy: -0.463
local terms energy: -169.480023
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -34.855
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -46.839
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: 385
Temperature: 1.050000
Total energy: -532.329863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.329863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.329863 (E_RNA)
where:
Base-Base interactions energy: -359.024
where: short stacking energy: -150.856
Base-Backbone interact. energy: -0.692
local terms energy: -172.614182
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -52.779
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: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -517.371454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.371454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.371454 (E_RNA)
where:
Base-Base interactions energy: -352.242
where: short stacking energy: -151.096
Base-Backbone interact. energy: -0.224
local terms energy: -164.905578
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -36.114
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -45.172
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: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -436.197541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.197541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.197541 (E_RNA)
where:
Base-Base interactions energy: -288.696
where: short stacking energy: -122.599
Base-Backbone interact. energy: -0.908
local terms energy: -146.593656
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -38.462
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: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -332.082467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.082467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.082467 (E_RNA)
where:
Base-Base interactions energy: -204.970
where: short stacking energy: -100.869
Base-Backbone interact. energy: -0.461
local terms energy: -126.651656
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -23.381
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: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -406.948708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.948708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.948708 (E_RNA)
where:
Base-Base interactions energy: -273.126
where: short stacking energy: -120.844
Base-Backbone interact. energy: -0.290
local terms energy: -133.533422
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -30.883
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: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -150.118751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.118751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.118751 (E_RNA)
where:
Base-Base interactions energy: -52.449
where: short stacking energy: -34.720
Base-Backbone interact. energy: -0.396
local terms energy: -97.273375
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: 5.902
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: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -149.896897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.896897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.896897 (E_RNA)
where:
Base-Base interactions energy: -58.827
where: short stacking energy: -39.646
Base-Backbone interact. energy: -0.408
local terms energy: -90.662640
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: 5.928
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: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -543.972623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.972623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.972623 (E_RNA)
where:
Base-Base interactions energy: -373.987
where: short stacking energy: -166.689
Base-Backbone interact. energy: -0.132
local terms energy: -169.854021
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -45.899
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: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -545.321607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.321607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.321607 (E_RNA)
where:
Base-Base interactions energy: -365.909
where: short stacking energy: -152.523
Base-Backbone interact. energy: -0.048
local terms energy: -179.364519
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -38.092
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -50.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -536.112675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.112675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.112675 (E_RNA)
where:
Base-Base interactions energy: -357.739
where: short stacking energy: -148.081
Base-Backbone interact. energy: 1.436
local terms energy: -179.809094
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -47.929
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: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -512.283434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.283434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.283434 (E_RNA)
where:
Base-Base interactions energy: -347.302
where: short stacking energy: -156.246
Base-Backbone interact. energy: -1.309
local terms energy: -163.672157
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: -45.289
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: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -491.019517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.019517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.019517 (E_RNA)
where:
Base-Base interactions energy: -333.274
where: short stacking energy: -143.567
Base-Backbone interact. energy: -0.641
local terms energy: -157.104885
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -39.991
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: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -450.776313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.776313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.776313 (E_RNA)
where:
Base-Base interactions energy: -313.163
where: short stacking energy: -126.566
Base-Backbone interact. energy: -0.312
local terms energy: -137.301006
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -33.487
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -422.811469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.811469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.811469 (E_RNA)
where:
Base-Base interactions energy: -280.050
where: short stacking energy: -133.118
Base-Backbone interact. energy: -0.121
local terms energy: -142.640138
where:
bonds (distance) C4'-P energy: -28.230
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -42.818
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: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -324.119055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.119055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.119055 (E_RNA)
where:
Base-Base interactions energy: -196.206
where: short stacking energy: -95.065
Base-Backbone interact. energy: -0.935
local terms energy: -126.978231
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -26.367
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -27.765
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -146.389537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.389537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.389537 (E_RNA)
where:
Base-Base interactions energy: -50.067
where: short stacking energy: -48.750
Base-Backbone interact. energy: 1.057
local terms energy: -97.379651
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: 3.052
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: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -146.463246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.463246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.463246 (E_RNA)
where:
Base-Base interactions energy: -43.414
where: short stacking energy: -43.219
Base-Backbone interact. energy: -0.314
local terms energy: -102.735812
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -2.343
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: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -554.078672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.078672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.078672 (E_RNA)
where:
Base-Base interactions energy: -381.471
where: short stacking energy: -157.433
Base-Backbone interact. energy: 0.913
local terms energy: -173.519856
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -48.729
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: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -551.246005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.246005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.246005 (E_RNA)
where:
Base-Base interactions energy: -360.031
where: short stacking energy: -162.140
Base-Backbone interact. energy: -0.386
local terms energy: -190.828685
where:
bonds (distance) C4'-P energy: -36.569
bonds (distance) P-C4' energy: -38.521
flat angles C4'-P-C4' energy: -34.221
flat angles P-C4'-P energy: -31.694
tors. eta vs tors. theta energy: -49.824
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: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -541.761232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.761232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.761232 (E_RNA)
where:
Base-Base interactions energy: -374.706
where: short stacking energy: -167.133
Base-Backbone interact. energy: -0.373
local terms energy: -166.682424
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -25.250
tors. eta vs tors. theta energy: -48.763
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: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -510.367467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.367467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.367467 (E_RNA)
where:
Base-Base interactions energy: -352.891
where: short stacking energy: -141.451
Base-Backbone interact. energy: -0.321
local terms energy: -157.156252
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -39.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -504.697676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.697676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.697676 (E_RNA)
where:
Base-Base interactions energy: -346.465
where: short stacking energy: -155.451
Base-Backbone interact. energy: 0.894
local terms energy: -159.126849
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -35.578
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -41.565
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: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -468.765616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.765616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.765616 (E_RNA)
where:
Base-Base interactions energy: -323.501
where: short stacking energy: -144.242
Base-Backbone interact. energy: 0.689
local terms energy: -145.953605
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -43.184
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -407.653039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.653039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.653039 (E_RNA)
where:
Base-Base interactions energy: -275.690
where: short stacking energy: -122.017
Base-Backbone interact. energy: -1.045
local terms energy: -130.917326
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -33.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -304.481401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.481401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.481401 (E_RNA)
where:
Base-Base interactions energy: -178.133
where: short stacking energy: -85.153
Base-Backbone interact. energy: -1.044
local terms energy: -125.304395
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -20.342
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: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -158.166148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.166148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.166148 (E_RNA)
where:
Base-Base interactions energy: -54.730
where: short stacking energy: -48.068
Base-Backbone interact. energy: -0.196
local terms energy: -103.239758
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: 4.179
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: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -148.628890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.628890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.628890 (E_RNA)
where:
Base-Base interactions energy: -48.399
where: short stacking energy: -31.988
Base-Backbone interact. energy: -1.792
local terms energy: -98.437907
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -1.533
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: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -555.141593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.141593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.141593 (E_RNA)
where:
Base-Base interactions energy: -380.387
where: short stacking energy: -162.608
Base-Backbone interact. energy: -1.012
local terms energy: -173.742835
where:
bonds (distance) C4'-P energy: -29.986
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -42.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -544.431531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.431531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.431531 (E_RNA)
where:
Base-Base interactions energy: -369.577
where: short stacking energy: -160.998
Base-Backbone interact. energy: -0.208
local terms energy: -174.646537
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -39.527
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -48.969
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: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -526.581523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.581523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.581523 (E_RNA)
where:
Base-Base interactions energy: -360.558
where: short stacking energy: -158.225
Base-Backbone interact. energy: -0.056
local terms energy: -165.967749
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -48.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -526.672085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.672085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.672085 (E_RNA)
where:
Base-Base interactions energy: -363.269
where: short stacking energy: -160.713
Base-Backbone interact. energy: -0.554
local terms energy: -162.849291
where:
bonds (distance) C4'-P energy: -29.015
bonds (distance) P-C4' energy: -29.656
flat angles C4'-P-C4' energy: -36.731
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -47.284
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: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -469.151995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.151995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.151995 (E_RNA)
where:
Base-Base interactions energy: -325.385
where: short stacking energy: -126.437
Base-Backbone interact. energy: -0.647
local terms energy: -143.120657
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -29.894
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -40.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -471.446979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.446979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.446979 (E_RNA)
where:
Base-Base interactions energy: -319.029
where: short stacking energy: -131.893
Base-Backbone interact. energy: -0.168
local terms energy: -152.250580
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -32.275
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -37.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -430.989100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.989100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.989100 (E_RNA)
where:
Base-Base interactions energy: -279.755
where: short stacking energy: -116.834
Base-Backbone interact. energy: -0.440
local terms energy: -150.794547
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -42.977
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: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -318.498437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.498437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.498437 (E_RNA)
where:
Base-Base interactions energy: -193.140
where: short stacking energy: -92.793
Base-Backbone interact. energy: -0.692
local terms energy: -124.666490
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -16.290
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: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -147.687278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.687278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.687278 (E_RNA)
where:
Base-Base interactions energy: -49.998
where: short stacking energy: -37.562
Base-Backbone interact. energy: 2.209
local terms energy: -99.898694
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: 4.132
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: 388
Temperature: 1.350000
Total energy: -148.599840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.599840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.599840 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.420
local terms energy: -105.419254
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -29.383
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -4.605
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: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -551.549288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.549288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.549288 (E_RNA)
where:
Base-Base interactions energy: -371.124
where: short stacking energy: -163.065
Base-Backbone interact. energy: -0.364
local terms energy: -180.060969
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -50.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -543.462561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.462561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.462561 (E_RNA)
where:
Base-Base interactions energy: -362.686
where: short stacking energy: -145.959
Base-Backbone interact. energy: -0.422
local terms energy: -180.354827
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -52.464
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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -522.667003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.667003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.667003 (E_RNA)
where:
Base-Base interactions energy: -360.708
where: short stacking energy: -148.216
Base-Backbone interact. energy: -0.139
local terms energy: -161.820018
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -47.279
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -514.725065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.725065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.725065 (E_RNA)
where:
Base-Base interactions energy: -345.406
where: short stacking energy: -148.117
Base-Backbone interact. energy: -0.076
local terms energy: -169.243238
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -46.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -482.323896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.323896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.323896 (E_RNA)
where:
Base-Base interactions energy: -341.104
where: short stacking energy: -141.228
Base-Backbone interact. energy: -0.288
local terms energy: -140.931828
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -42.290
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: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -436.711472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.711472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.711472 (E_RNA)
where:
Base-Base interactions energy: -288.320
where: short stacking energy: -127.646
Base-Backbone interact. energy: -0.231
local terms energy: -148.160360
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -40.819
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: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -458.449113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.449113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.449113 (E_RNA)
where:
Base-Base interactions energy: -302.716
where: short stacking energy: -127.693
Base-Backbone interact. energy: -0.285
local terms energy: -155.447705
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -38.744
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: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -302.059471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.059471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.059471 (E_RNA)
where:
Base-Base interactions energy: -179.869
where: short stacking energy: -78.607
Base-Backbone interact. energy: 0.211
local terms energy: -122.401228
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -16.701
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: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -148.923053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.923053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.923053 (E_RNA)
where:
Base-Base interactions energy: -58.279
where: short stacking energy: -45.985
Base-Backbone interact. energy: -0.953
local terms energy: -89.691136
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: 9.062
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: 389
Temperature: 1.350000
Total energy: -150.820502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.820502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.820502 (E_RNA)
where:
Base-Base interactions energy: -61.365
where: short stacking energy: -47.376
Base-Backbone interact. energy: -0.444
local terms energy: -89.012009
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -3.007
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: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -563.640096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.640096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.640096 (E_RNA)
where:
Base-Base interactions energy: -379.822
where: short stacking energy: -162.412
Base-Backbone interact. energy: -0.023
local terms energy: -183.795318
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -50.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -552.096266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.096266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.096266 (E_RNA)
where:
Base-Base interactions energy: -367.594
where: short stacking energy: -158.175
Base-Backbone interact. energy: -0.238
local terms energy: -184.264110
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -49.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -530.008183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.008183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.008183 (E_RNA)
where:
Base-Base interactions energy: -352.980
where: short stacking energy: -158.137
Base-Backbone interact. energy: -0.979
local terms energy: -176.049614
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -51.473
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: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -503.458177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.458177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.458177 (E_RNA)
where:
Base-Base interactions energy: -337.094
where: short stacking energy: -152.747
Base-Backbone interact. energy: -0.043
local terms energy: -166.320512
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -44.524
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: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -459.657774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.657774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.657774 (E_RNA)
where:
Base-Base interactions energy: -303.541
where: short stacking energy: -141.735
Base-Backbone interact. energy: 0.120
local terms energy: -156.236539
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -40.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -455.269387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.269387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.269387 (E_RNA)
where:
Base-Base interactions energy: -307.388
where: short stacking energy: -132.455
Base-Backbone interact. energy: -1.031
local terms energy: -146.851037
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -38.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -462.549737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.549737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.549737 (E_RNA)
where:
Base-Base interactions energy: -295.061
where: short stacking energy: -120.720
Base-Backbone interact. energy: -0.857
local terms energy: -166.631497
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -40.141
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: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -281.972754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.972754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.972754 (E_RNA)
where:
Base-Base interactions energy: -168.258
where: short stacking energy: -84.662
Base-Backbone interact. energy: 4.949
local terms energy: -118.663840
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -15.031
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: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -170.654979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.654979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.654979 (E_RNA)
where:
Base-Base interactions energy: -78.279
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.552
local terms energy: -91.823711
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -148.086009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.086009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.086009 (E_RNA)
where:
Base-Base interactions energy: -50.079
where: short stacking energy: -36.401
Base-Backbone interact. energy: -0.755
local terms energy: -97.251593
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: 2.147
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: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -568.164021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.164021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.164021 (E_RNA)
where:
Base-Base interactions energy: -378.921
where: short stacking energy: -172.325
Base-Backbone interact. energy: 0.663
local terms energy: -189.905575
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -38.639
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -55.010
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: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -531.703143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.703143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.703143 (E_RNA)
where:
Base-Base interactions energy: -354.805
where: short stacking energy: -151.189
Base-Backbone interact. energy: -0.227
local terms energy: -176.670999
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -52.447
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: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -528.289953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.289953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.289953 (E_RNA)
where:
Base-Base interactions energy: -366.097
where: short stacking energy: -146.240
Base-Backbone interact. energy: 0.417
local terms energy: -162.610151
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -41.341
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: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -506.363436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.363436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.363436 (E_RNA)
where:
Base-Base interactions energy: -340.990
where: short stacking energy: -149.152
Base-Backbone interact. energy: 0.848
local terms energy: -166.222143
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -44.084
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: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -454.764005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.764005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.764005 (E_RNA)
where:
Base-Base interactions energy: -298.055
where: short stacking energy: -132.338
Base-Backbone interact. energy: 0.517
local terms energy: -157.226104
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -36.600
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -42.444
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: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -437.989023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.989023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.989023 (E_RNA)
where:
Base-Base interactions energy: -291.147
where: short stacking energy: -134.456
Base-Backbone interact. energy: -0.122
local terms energy: -146.719848
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -33.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -456.631961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.631961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.631961 (E_RNA)
where:
Base-Base interactions energy: -305.358
where: short stacking energy: -127.122
Base-Backbone interact. energy: -0.726
local terms energy: -150.547902
where:
bonds (distance) C4'-P energy: -27.412
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -37.581
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -287.607460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.607460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.607460 (E_RNA)
where:
Base-Base interactions energy: -171.821
where: short stacking energy: -72.779
Base-Backbone interact. energy: 0.080
local terms energy: -115.866415
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: -13.137
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: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -149.935463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.935463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.935463 (E_RNA)
where:
Base-Base interactions energy: -43.562
where: short stacking energy: -41.302
Base-Backbone interact. energy: 0.881
local terms energy: -107.253841
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: 1.674
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: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -136.701535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.701535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.701535 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -39.060
Base-Backbone interact. energy: -0.856
local terms energy: -96.785135
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -4.547
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: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -554.030365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.030365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.030365 (E_RNA)
where:
Base-Base interactions energy: -383.461
where: short stacking energy: -164.368
Base-Backbone interact. energy: -0.717
local terms energy: -169.851954
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -46.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -529.114772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.114772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.114772 (E_RNA)
where:
Base-Base interactions energy: -365.364
where: short stacking energy: -145.459
Base-Backbone interact. energy: -0.802
local terms energy: -162.948358
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -43.945
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -512.822387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.822387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.822387 (E_RNA)
where:
Base-Base interactions energy: -343.640
where: short stacking energy: -141.035
Base-Backbone interact. energy: -0.027
local terms energy: -169.154883
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -43.204
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: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -502.501561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.501561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.501561 (E_RNA)
where:
Base-Base interactions energy: -329.695
where: short stacking energy: -151.820
Base-Backbone interact. energy: -0.081
local terms energy: -172.725729
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -48.486
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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -454.366808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.366808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.366808 (E_RNA)
where:
Base-Base interactions energy: -307.479
where: short stacking energy: -117.641
Base-Backbone interact. energy: -0.217
local terms energy: -146.670702
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -33.323
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -28.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -439.670658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.670658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.670658 (E_RNA)
where:
Base-Base interactions energy: -278.756
where: short stacking energy: -124.933
Base-Backbone interact. energy: -0.445
local terms energy: -160.469754
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -40.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -452.478950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.478950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.478950 (E_RNA)
where:
Base-Base interactions energy: -298.820
where: short stacking energy: -118.762
Base-Backbone interact. energy: -1.373
local terms energy: -152.285913
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -34.465
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: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -297.026931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.026931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.026931 (E_RNA)
where:
Base-Base interactions energy: -169.468
where: short stacking energy: -77.985
Base-Backbone interact. energy: -1.161
local terms energy: -126.397920
where:
bonds (distance) C4'-P energy: -26.999
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -18.259
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: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -156.740016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.740016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.740016 (E_RNA)
where:
Base-Base interactions energy: -66.034
where: short stacking energy: -40.591
Base-Backbone interact. energy: 0.107
local terms energy: -90.813142
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -26.041
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -136.869533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.869533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.869533 (E_RNA)
where:
Base-Base interactions energy: -43.943
where: short stacking energy: -37.241
Base-Backbone interact. energy: 0.321
local terms energy: -93.248099
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -1.544
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: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -556.650008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.650008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.650008 (E_RNA)
where:
Base-Base interactions energy: -381.657
where: short stacking energy: -153.773
Base-Backbone interact. energy: -0.325
local terms energy: -174.668684
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -50.101
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -537.294377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.294377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.294377 (E_RNA)
where:
Base-Base interactions energy: -356.406
where: short stacking energy: -156.895
Base-Backbone interact. energy: -0.112
local terms energy: -180.777176
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -49.724
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: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -521.487228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.487228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.487228 (E_RNA)
where:
Base-Base interactions energy: -358.636
where: short stacking energy: -157.610
Base-Backbone interact. energy: -0.198
local terms energy: -162.652333
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -49.966
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: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -515.859629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.859629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.859629 (E_RNA)
where:
Base-Base interactions energy: -348.427
where: short stacking energy: -150.683
Base-Backbone interact. energy: -0.017
local terms energy: -167.415477
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -31.900
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -42.952
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: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -458.830517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.830517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.830517 (E_RNA)
where:
Base-Base interactions energy: -305.636
where: short stacking energy: -125.962
Base-Backbone interact. energy: -0.059
local terms energy: -153.135857
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -39.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -480.345411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.345411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.345411 (E_RNA)
where:
Base-Base interactions energy: -323.376
where: short stacking energy: -130.404
Base-Backbone interact. energy: 0.011
local terms energy: -156.980303
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -35.106
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: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -396.981664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.981664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.981664 (E_RNA)
where:
Base-Base interactions energy: -259.832
where: short stacking energy: -127.595
Base-Backbone interact. energy: -0.091
local terms energy: -137.058979
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -34.178
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: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -294.660806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.660806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.660806 (E_RNA)
where:
Base-Base interactions energy: -176.523
where: short stacking energy: -86.178
Base-Backbone interact. energy: -0.695
local terms energy: -117.443089
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -153.889602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.889602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.889602 (E_RNA)
where:
Base-Base interactions energy: -68.992
where: short stacking energy: -49.126
Base-Backbone interact. energy: 1.661
local terms energy: -86.558358
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -156.646587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.646587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.646587 (E_RNA)
where:
Base-Base interactions energy: -66.916
where: short stacking energy: -37.683
Base-Backbone interact. energy: -1.450
local terms energy: -88.280533
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: 10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -567.797920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.797920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.797920 (E_RNA)
where:
Base-Base interactions energy: -394.067
where: short stacking energy: -163.896
Base-Backbone interact. energy: 1.382
local terms energy: -175.112784
where:
bonds (distance) C4'-P energy: -35.368
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -47.570
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: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -544.489278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.489278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.489278 (E_RNA)
where:
Base-Base interactions energy: -378.634
where: short stacking energy: -145.774
Base-Backbone interact. energy: -0.136
local terms energy: -165.719805
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -46.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -531.585485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.585485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.585485 (E_RNA)
where:
Base-Base interactions energy: -353.655
where: short stacking energy: -157.019
Base-Backbone interact. energy: 1.533
local terms energy: -179.464132
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: -51.525
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: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -498.788582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.788582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.788582 (E_RNA)
where:
Base-Base interactions energy: -337.069
where: short stacking energy: -134.491
Base-Backbone interact. energy: -0.086
local terms energy: -161.634064
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -37.345
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -38.925
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: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -490.473469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.473469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.473469 (E_RNA)
where:
Base-Base interactions energy: -337.956
where: short stacking energy: -135.741
Base-Backbone interact. energy: -0.744
local terms energy: -151.773777
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -40.398
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: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -459.147527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.147527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.147527 (E_RNA)
where:
Base-Base interactions energy: -310.021
where: short stacking energy: -121.238
Base-Backbone interact. energy: -0.286
local terms energy: -148.840235
where:
bonds (distance) C4'-P energy: -36.460
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -34.446
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -30.558
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -416.547194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.547194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.547194 (E_RNA)
where:
Base-Base interactions energy: -270.289
where: short stacking energy: -119.708
Base-Backbone interact. energy: -1.350
local terms energy: -144.908703
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -30.640
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: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -318.648506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.648506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.648506 (E_RNA)
where:
Base-Base interactions energy: -196.439
where: short stacking energy: -93.805
Base-Backbone interact. energy: 0.102
local terms energy: -122.312252
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -25.449
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: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -156.447273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.447273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.447273 (E_RNA)
where:
Base-Base interactions energy: -55.709
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.176
local terms energy: -100.561459
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -170.168351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.168351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.168351 (E_RNA)
where:
Base-Base interactions energy: -72.630
where: short stacking energy: -65.133
Base-Backbone interact. energy: 0.832
local terms energy: -98.370651
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -16.677
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: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -557.157945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.157945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.157945 (E_RNA)
where:
Base-Base interactions energy: -387.419
where: short stacking energy: -159.920
Base-Backbone interact. energy: -0.733
local terms energy: -169.006490
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -46.929
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: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -536.373810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.373810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.373810 (E_RNA)
where:
Base-Base interactions energy: -366.530
where: short stacking energy: -150.765
Base-Backbone interact. energy: -0.274
local terms energy: -169.569265
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: -46.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -524.033489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.033489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.033489 (E_RNA)
where:
Base-Base interactions energy: -355.610
where: short stacking energy: -155.489
Base-Backbone interact. energy: 2.080
local terms energy: -170.503685
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -46.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -496.724409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.724409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.724409 (E_RNA)
where:
Base-Base interactions energy: -331.614
where: short stacking energy: -135.871
Base-Backbone interact. energy: -0.841
local terms energy: -164.269904
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -38.924
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -467.521153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.521153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.521153 (E_RNA)
where:
Base-Base interactions energy: -316.537
where: short stacking energy: -127.453
Base-Backbone interact. energy: -1.214
local terms energy: -149.769779
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -34.661
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: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -431.698844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.698844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.698844 (E_RNA)
where:
Base-Base interactions energy: -286.788
where: short stacking energy: -123.383
Base-Backbone interact. energy: -0.657
local terms energy: -144.253793
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -35.289
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: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -418.489611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.489611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.489611 (E_RNA)
where:
Base-Base interactions energy: -272.143
where: short stacking energy: -113.245
Base-Backbone interact. energy: -0.536
local terms energy: -145.810598
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -27.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -337.278122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.278122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.278122 (E_RNA)
where:
Base-Base interactions energy: -201.933
where: short stacking energy: -103.419
Base-Backbone interact. energy: -0.740
local terms energy: -134.605481
where:
bonds (distance) C4'-P energy: -35.913
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -26.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -162.948865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.948865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.948865 (E_RNA)
where:
Base-Base interactions energy: -72.449
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.993
local terms energy: -89.506615
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: 1.124
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: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -148.738515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.738515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.738515 (E_RNA)
where:
Base-Base interactions energy: -55.736
where: short stacking energy: -39.604
Base-Backbone interact. energy: -1.071
local terms energy: -91.931648
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: 3.149
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: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -550.355124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.355124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.355124 (E_RNA)
where:
Base-Base interactions energy: -376.441
where: short stacking energy: -158.640
Base-Backbone interact. energy: -0.162
local terms energy: -173.752451
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -48.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -548.173198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.173198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.173198 (E_RNA)
where:
Base-Base interactions energy: -374.532
where: short stacking energy: -168.319
Base-Backbone interact. energy: -0.149
local terms energy: -173.492440
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -49.201
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: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -499.198503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.198503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.198503 (E_RNA)
where:
Base-Base interactions energy: -343.013
where: short stacking energy: -145.247
Base-Backbone interact. energy: -0.509
local terms energy: -155.676709
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -41.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -512.374313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.374313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.374313 (E_RNA)
where:
Base-Base interactions energy: -355.971
where: short stacking energy: -146.226
Base-Backbone interact. energy: -0.060
local terms energy: -156.343122
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -42.123
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: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -476.011615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.011615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.011615 (E_RNA)
where:
Base-Base interactions energy: -316.157
where: short stacking energy: -140.619
Base-Backbone interact. energy: -1.450
local terms energy: -158.404637
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -38.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -428.839261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.839261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.839261 (E_RNA)
where:
Base-Base interactions energy: -281.976
where: short stacking energy: -117.349
Base-Backbone interact. energy: -0.260
local terms energy: -146.603483
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -38.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -419.569270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.569270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.569270 (E_RNA)
where:
Base-Base interactions energy: -277.711
where: short stacking energy: -116.802
Base-Backbone interact. energy: 0.268
local terms energy: -142.126914
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -348.570019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.570019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.570019 (E_RNA)
where:
Base-Base interactions energy: -223.482
where: short stacking energy: -112.709
Base-Backbone interact. energy: -0.593
local terms energy: -124.495568
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -28.352
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: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -151.915476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.915476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.915476 (E_RNA)
where:
Base-Base interactions energy: -63.660
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.665
local terms energy: -87.590822
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -154.625561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.625561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.625561 (E_RNA)
where:
Base-Base interactions energy: -62.611
where: short stacking energy: -49.490
Base-Backbone interact. energy: -1.719
local terms energy: -90.295799
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -12.686
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: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -553.297674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.297674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.297674 (E_RNA)
where:
Base-Base interactions energy: -389.874
where: short stacking energy: -152.579
Base-Backbone interact. energy: -1.061
local terms energy: -162.362190
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -48.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -546.155897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.155897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.155897 (E_RNA)
where:
Base-Base interactions energy: -364.952
where: short stacking energy: -149.367
Base-Backbone interact. energy: -0.077
local terms energy: -181.126716
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -508.071291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.071291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.071291 (E_RNA)
where:
Base-Base interactions energy: -338.813
where: short stacking energy: -152.160
Base-Backbone interact. energy: 0.007
local terms energy: -169.265079
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -47.079
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -505.448055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.448055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.448055 (E_RNA)
where:
Base-Base interactions energy: -344.668
where: short stacking energy: -146.282
Base-Backbone interact. energy: -0.131
local terms energy: -160.648972
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -23.968
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: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -476.858180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.858180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.858180 (E_RNA)
where:
Base-Base interactions energy: -328.301
where: short stacking energy: -143.089
Base-Backbone interact. energy: -0.629
local terms energy: -147.927639
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -41.478
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: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -414.648616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.648616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.648616 (E_RNA)
where:
Base-Base interactions energy: -277.518
where: short stacking energy: -125.357
Base-Backbone interact. energy: -0.109
local terms energy: -137.022054
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -32.645
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: 397
Temperature: 1.200000
Total energy: -429.925299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.925299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.925299 (E_RNA)
where:
Base-Base interactions energy: -295.443
where: short stacking energy: -112.809
Base-Backbone interact. energy: -0.577
local terms energy: -133.905357
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -26.724
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: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -318.466527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.466527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.466527 (E_RNA)
where:
Base-Base interactions energy: -195.998
where: short stacking energy: -99.553
Base-Backbone interact. energy: -0.299
local terms energy: -122.169314
where:
bonds (distance) C4'-P energy: -34.190
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -155.269808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.269808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.269808 (E_RNA)
where:
Base-Base interactions energy: -58.786
where: short stacking energy: -58.886
Base-Backbone interact. energy: 1.589
local terms energy: -98.073248
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -141.295854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.295854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.295854 (E_RNA)
where:
Base-Base interactions energy: -42.140
where: short stacking energy: -38.061
Base-Backbone interact. energy: 0.073
local terms energy: -99.228412
where:
bonds (distance) C4'-P energy: -29.414
bonds (distance) P-C4' energy: -35.327
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: 1.320
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -556.718757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.718757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.718757 (E_RNA)
where:
Base-Base interactions energy: -382.808
where: short stacking energy: -162.010
Base-Backbone interact. energy: -0.121
local terms energy: -173.789810
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -33.935
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -49.795
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: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -552.925714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.925714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.925714 (E_RNA)
where:
Base-Base interactions energy: -372.749
where: short stacking energy: -139.702
Base-Backbone interact. energy: -0.158
local terms energy: -180.018562
where:
bonds (distance) C4'-P energy: -34.688
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -48.859
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: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -518.995034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.995034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.995034 (E_RNA)
where:
Base-Base interactions energy: -347.409
where: short stacking energy: -158.610
Base-Backbone interact. energy: -2.946
local terms energy: -168.639585
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -49.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -521.788233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.788233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.788233 (E_RNA)
where:
Base-Base interactions energy: -352.716
where: short stacking energy: -151.190
Base-Backbone interact. energy: -0.816
local terms energy: -168.256201
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -34.788
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: -44.726
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: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -503.561794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.561794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.561794 (E_RNA)
where:
Base-Base interactions energy: -351.089
where: short stacking energy: -133.547
Base-Backbone interact. energy: -1.397
local terms energy: -151.076294
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -27.139
tors. eta vs tors. theta energy: -40.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -444.504513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.504513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.504513 (E_RNA)
where:
Base-Base interactions energy: -292.909
where: short stacking energy: -119.844
Base-Backbone interact. energy: 0.210
local terms energy: -151.805906
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -41.614
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: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -429.830201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.830201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.830201 (E_RNA)
where:
Base-Base interactions energy: -284.055
where: short stacking energy: -107.582
Base-Backbone interact. energy: -0.929
local terms energy: -144.846227
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -33.603
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -27.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -335.369174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.369174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.369174 (E_RNA)
where:
Base-Base interactions energy: -209.000
where: short stacking energy: -101.241
Base-Backbone interact. energy: -0.224
local terms energy: -126.145855
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -24.141
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: 398
Temperature: 1.300000
Total energy: -146.151737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.151737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.151737 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -44.734
Base-Backbone interact. energy: -0.983
local terms energy: -96.156651
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: 1.946
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: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -144.649691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.649691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.649691 (E_RNA)
where:
Base-Base interactions energy: -51.400
where: short stacking energy: -47.025
Base-Backbone interact. energy: -0.530
local terms energy: -92.720169
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: 3.247
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: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -545.345121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.345121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.345121 (E_RNA)
where:
Base-Base interactions energy: -379.884
where: short stacking energy: -157.031
Base-Backbone interact. energy: -0.014
local terms energy: -165.447716
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -51.048
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: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -545.836043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.836043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.836043 (E_RNA)
where:
Base-Base interactions energy: -378.942
where: short stacking energy: -166.884
Base-Backbone interact. energy: -0.169
local terms energy: -166.724973
where:
bonds (distance) C4'-P energy: -25.978
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -50.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -514.579602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.579602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.579602 (E_RNA)
where:
Base-Base interactions energy: -350.231
where: short stacking energy: -143.794
Base-Backbone interact. energy: -0.457
local terms energy: -163.891796
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -36.675
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -45.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -521.613898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.613898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.613898 (E_RNA)
where:
Base-Base interactions energy: -343.370
where: short stacking energy: -146.833
Base-Backbone interact. energy: -2.178
local terms energy: -176.066028
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -26.787
tors. eta vs tors. theta energy: -47.701
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: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -500.530385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.530385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.530385 (E_RNA)
where:
Base-Base interactions energy: -344.109
where: short stacking energy: -151.867
Base-Backbone interact. energy: -0.492
local terms energy: -155.928991
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -413.510872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.510872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.510872 (E_RNA)
where:
Base-Base interactions energy: -266.348
where: short stacking energy: -111.084
Base-Backbone interact. energy: 1.503
local terms energy: -148.666242
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -34.987
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: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -417.944081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.944081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.944081 (E_RNA)
where:
Base-Base interactions energy: -282.730
where: short stacking energy: -124.507
Base-Backbone interact. energy: -0.528
local terms energy: -134.686385
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -29.170
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: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -320.404798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.404798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.404798 (E_RNA)
where:
Base-Base interactions energy: -190.725
where: short stacking energy: -87.557
Base-Backbone interact. energy: -0.697
local terms energy: -128.982659
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -21.744
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: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -157.710555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.710555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.710555 (E_RNA)
where:
Base-Base interactions energy: -58.185
where: short stacking energy: -48.450
Base-Backbone interact. energy: 3.451
local terms energy: -102.976974
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -5.102
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: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -175.799174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.799174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.799174 (E_RNA)
where:
Base-Base interactions energy: -83.357
where: short stacking energy: -47.876
Base-Backbone interact. energy: -0.054
local terms energy: -92.387545
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: 2.348
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: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -539.611809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.611809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.611809 (E_RNA)
where:
Base-Base interactions energy: -358.211
where: short stacking energy: -155.239
Base-Backbone interact. energy: -0.726
local terms energy: -180.674392
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -31.547
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -30.361
tors. eta vs tors. theta energy: -49.526
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: 400
Temperature: 0.950000
Total energy: -546.717647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.717647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.717647 (E_RNA)
where:
Base-Base interactions energy: -369.257
where: short stacking energy: -156.959
Base-Backbone interact. energy: -0.907
local terms energy: -176.553285
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -52.653
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: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -530.593062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.593062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.593062 (E_RNA)
where:
Base-Base interactions energy: -359.195
where: short stacking energy: -154.121
Base-Backbone interact. energy: -0.084
local terms energy: -171.314552
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -53.240
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -512.587417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.587417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.587417 (E_RNA)
where:
Base-Base interactions energy: -341.122
where: short stacking energy: -137.672
Base-Backbone interact. energy: -0.865
local terms energy: -170.600480
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -47.624
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: 400
Temperature: 1.100000
Total energy: -490.380137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.380137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.380137 (E_RNA)
where:
Base-Base interactions energy: -343.503
where: short stacking energy: -138.326
Base-Backbone interact. energy: 0.330
local terms energy: -147.207742
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -33.518
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -42.110
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: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -422.876011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.876011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.876011 (E_RNA)
where:
Base-Base interactions energy: -285.078
where: short stacking energy: -108.562
Base-Backbone interact. energy: -0.342
local terms energy: -137.456196
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -29.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -344.928872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.928872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.928872 (E_RNA)
where:
Base-Base interactions energy: -214.097
where: short stacking energy: -102.399
Base-Backbone interact. energy: -0.470
local terms energy: -130.362671
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -20.455
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: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -387.082080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.082080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.082080 (E_RNA)
where:
Base-Base interactions energy: -259.352
where: short stacking energy: -108.543
Base-Backbone interact. energy: -0.252
local terms energy: -127.478825
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -31.787
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: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -159.336744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.336744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.336744 (E_RNA)
where:
Base-Base interactions energy: -61.390
where: short stacking energy: -39.737
Base-Backbone interact. energy: -0.344
local terms energy: -97.602357
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -1.545
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: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -145.422683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.422683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.422683 (E_RNA)
where:
Base-Base interactions energy: -49.576
where: short stacking energy: -45.314
Base-Backbone interact. energy: -0.540
local terms energy: -95.307184
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: 6.976
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: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -548.316408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.316408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.316408 (E_RNA)
where:
Base-Base interactions energy: -374.875
where: short stacking energy: -152.705
Base-Backbone interact. energy: 1.800
local terms energy: -175.241510
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -45.280
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: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -529.902541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.902541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.902541 (E_RNA)
where:
Base-Base interactions energy: -355.177
where: short stacking energy: -159.152
Base-Backbone interact. energy: -1.333
local terms energy: -173.392313
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -50.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -539.217358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.217358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.217358 (E_RNA)
where:
Base-Base interactions energy: -367.467
where: short stacking energy: -154.779
Base-Backbone interact. energy: -0.866
local terms energy: -170.884085
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -51.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -521.041449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.041449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.041449 (E_RNA)
where:
Base-Base interactions energy: -358.462
where: short stacking energy: -161.101
Base-Backbone interact. energy: 0.268
local terms energy: -162.846971
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -49.144
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -494.388985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.388985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.388985 (E_RNA)
where:
Base-Base interactions energy: -334.482
where: short stacking energy: -139.615
Base-Backbone interact. energy: -0.226
local terms energy: -159.680895
where:
bonds (distance) C4'-P energy: -34.085
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -40.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -411.007477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.007477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.007477 (E_RNA)
where:
Base-Base interactions energy: -287.342
where: short stacking energy: -131.489
Base-Backbone interact. energy: 0.743
local terms energy: -124.408433
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -31.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -326.653395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.653395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.653395 (E_RNA)
where:
Base-Base interactions energy: -196.100
where: short stacking energy: -111.703
Base-Backbone interact. energy: -0.209
local terms energy: -130.344403
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -22.877
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: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -414.944883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.944883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.944883 (E_RNA)
where:
Base-Base interactions energy: -266.089
where: short stacking energy: -114.067
Base-Backbone interact. energy: 0.571
local terms energy: -149.426717
where:
bonds (distance) C4'-P energy: -30.855
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -32.877
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: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -158.311249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.311249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.311249 (E_RNA)
where:
Base-Base interactions energy: -58.232
where: short stacking energy: -52.337
Base-Backbone interact. energy: 1.844
local terms energy: -101.923819
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -8.599
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: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -173.902707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.902707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.902707 (E_RNA)
where:
Base-Base interactions energy: -83.681
where: short stacking energy: -55.317
Base-Backbone interact. energy: -0.397
local terms energy: -89.824742
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -3.716
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: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -556.448603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.448603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.448603 (E_RNA)
where:
Base-Base interactions energy: -372.156
where: short stacking energy: -166.764
Base-Backbone interact. energy: 0.030
local terms energy: -184.321741
where:
bonds (distance) C4'-P energy: -39.584
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -53.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -535.794229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.794229 (E_RNA)
where:
Base-Base interactions energy: -371.411
where: short stacking energy: -151.772
Base-Backbone interact. energy: -0.047
local terms energy: -164.336000
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -47.504
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: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -532.700739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.700739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.700739 (E_RNA)
where:
Base-Base interactions energy: -366.959
where: short stacking energy: -150.117
Base-Backbone interact. energy: -0.330
local terms energy: -165.411810
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -26.253
tors. eta vs tors. theta energy: -44.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -519.087888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.087888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.087888 (E_RNA)
where:
Base-Base interactions energy: -358.241
where: short stacking energy: -147.437
Base-Backbone interact. energy: -0.618
local terms energy: -160.228880
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -45.302
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: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -498.669312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.669312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.669312 (E_RNA)
where:
Base-Base interactions energy: -332.550
where: short stacking energy: -147.902
Base-Backbone interact. energy: -1.619
local terms energy: -164.500239
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: -42.916
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: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -423.921999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.921999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.921999 (E_RNA)
where:
Base-Base interactions energy: -279.299
where: short stacking energy: -116.255
Base-Backbone interact. energy: -0.351
local terms energy: -144.271240
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -425.310722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.310722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.310722 (E_RNA)
where:
Base-Base interactions energy: -280.641
where: short stacking energy: -116.920
Base-Backbone interact. energy: -0.263
local terms energy: -144.406374
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -41.248
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: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -270.365483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.365483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.365483 (E_RNA)
where:
Base-Base interactions energy: -161.873
where: short stacking energy: -75.378
Base-Backbone interact. energy: -0.900
local terms energy: -107.592548
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -158.523612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.523612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.523612 (E_RNA)
where:
Base-Base interactions energy: -57.148
where: short stacking energy: -39.164
Base-Backbone interact. energy: 3.665
local terms energy: -105.040691
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -6.657
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: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -145.239397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.239397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.239397 (E_RNA)
where:
Base-Base interactions energy: -43.717
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.336
local terms energy: -101.186175
where:
bonds (distance) C4'-P energy: -28.928
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -549.487654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.487654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.487654 (E_RNA)
where:
Base-Base interactions energy: -371.895
where: short stacking energy: -160.801
Base-Backbone interact. energy: -0.276
local terms energy: -177.316167
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -50.168
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -543.783018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.783018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.783018 (E_RNA)
where:
Base-Base interactions energy: -367.674
where: short stacking energy: -153.441
Base-Backbone interact. energy: -0.499
local terms energy: -175.609880
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -43.554
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: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -533.108875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.108875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.108875 (E_RNA)
where:
Base-Base interactions energy: -361.556
where: short stacking energy: -151.875
Base-Backbone interact. energy: -0.100
local terms energy: -171.453206
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -44.264
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: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -514.953143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.953143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.953143 (E_RNA)
where:
Base-Base interactions energy: -347.741
where: short stacking energy: -144.629
Base-Backbone interact. energy: -0.503
local terms energy: -166.709046
where:
bonds (distance) C4'-P energy: -35.947
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: -41.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -506.508799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.508799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.508799 (E_RNA)
where:
Base-Base interactions energy: -346.465
where: short stacking energy: -148.206
Base-Backbone interact. energy: -0.180
local terms energy: -159.863673
where:
bonds (distance) C4'-P energy: -30.973
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -44.801
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: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -444.173246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.173246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.173246 (E_RNA)
where:
Base-Base interactions energy: -290.550
where: short stacking energy: -128.704
Base-Backbone interact. energy: 0.238
local terms energy: -153.861493
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -27.088
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -39.570
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: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -422.208120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.208120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.208120 (E_RNA)
where:
Base-Base interactions energy: -271.263
where: short stacking energy: -112.618
Base-Backbone interact. energy: -0.187
local terms energy: -150.757681
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -31.274
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: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -268.907143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.907143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.907143 (E_RNA)
where:
Base-Base interactions energy: -149.728
where: short stacking energy: -86.037
Base-Backbone interact. energy: -0.116
local terms energy: -119.063128
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -150.482191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.482191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.482191 (E_RNA)
where:
Base-Base interactions energy: -50.172
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.812
local terms energy: -99.498011
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: 3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -151.112571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.112571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.112571 (E_RNA)
where:
Base-Base interactions energy: -57.580
where: short stacking energy: -57.381
Base-Backbone interact. energy: 1.145
local terms energy: -94.677006
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -9.891
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: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -544.249054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.249054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.249054 (E_RNA)
where:
Base-Base interactions energy: -375.986
where: short stacking energy: -162.396
Base-Backbone interact. energy: -0.495
local terms energy: -167.768279
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -44.690
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: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -555.775355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.775355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.775355 (E_RNA)
where:
Base-Base interactions energy: -372.009
where: short stacking energy: -155.914
Base-Backbone interact. energy: -0.005
local terms energy: -183.761794
where:
bonds (distance) C4'-P energy: -35.521
bonds (distance) P-C4' energy: -38.851
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -48.393
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -510.958580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.958580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.958580 (E_RNA)
where:
Base-Base interactions energy: -342.561
where: short stacking energy: -146.187
Base-Backbone interact. energy: -0.759
local terms energy: -167.638801
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -34.309
flat angles C4'-P-C4' energy: -37.618
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -46.843
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: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -503.200208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.200208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.200208 (E_RNA)
where:
Base-Base interactions energy: -335.736
where: short stacking energy: -151.118
Base-Backbone interact. energy: -0.660
local terms energy: -166.804957
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -37.517
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -506.774148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.774148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.774148 (E_RNA)
where:
Base-Base interactions energy: -350.257
where: short stacking energy: -150.998
Base-Backbone interact. energy: 1.082
local terms energy: -157.598896
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -34.643
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -46.530
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: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -442.165428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.165428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.165428 (E_RNA)
where:
Base-Base interactions energy: -284.828
where: short stacking energy: -129.256
Base-Backbone interact. energy: -0.220
local terms energy: -157.117797
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -45.191
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: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -444.275541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.275541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.275541 (E_RNA)
where:
Base-Base interactions energy: -282.958
where: short stacking energy: -140.998
Base-Backbone interact. energy: -0.128
local terms energy: -161.189615
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -37.025
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -36.061
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: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -265.630797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.630797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.630797 (E_RNA)
where:
Base-Base interactions energy: -147.015
where: short stacking energy: -76.781
Base-Backbone interact. energy: -0.403
local terms energy: -118.212186
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -185.943960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.943960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.943960 (E_RNA)
where:
Base-Base interactions energy: -69.972
where: short stacking energy: -50.179
Base-Backbone interact. energy: -0.315
local terms energy: -115.657211
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -13.031
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: 404
Temperature: 1.350000
Total energy: -164.161047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.161047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.161047 (E_RNA)
where:
Base-Base interactions energy: -70.504
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.663
local terms energy: -92.994287
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -0.604
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: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -540.610358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.610358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.610358 (E_RNA)
where:
Base-Base interactions energy: -365.179
where: short stacking energy: -169.865
Base-Backbone interact. energy: 0.113
local terms energy: -175.543628
where:
bonds (distance) C4'-P energy: -35.151
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -37.329
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -50.576
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: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -548.561340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.561340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.561340 (E_RNA)
where:
Base-Base interactions energy: -372.281
where: short stacking energy: -156.627
Base-Backbone interact. energy: -0.273
local terms energy: -176.006639
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -38.921
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -55.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -527.783498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.783498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.783498 (E_RNA)
where:
Base-Base interactions energy: -351.919
where: short stacking energy: -151.078
Base-Backbone interact. energy: -0.321
local terms energy: -175.543356
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -37.933
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -46.550
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: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -515.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.973989 (E_RNA)
where:
Base-Base interactions energy: -346.910
where: short stacking energy: -146.719
Base-Backbone interact. energy: -0.792
local terms energy: -168.271965
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -45.501
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: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -512.217756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.217756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.217756 (E_RNA)
where:
Base-Base interactions energy: -352.312
where: short stacking energy: -147.452
Base-Backbone interact. energy: -0.875
local terms energy: -159.031226
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -45.296
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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -458.308421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.308421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.308421 (E_RNA)
where:
Base-Base interactions energy: -303.489
where: short stacking energy: -130.106
Base-Backbone interact. energy: -0.160
local terms energy: -154.659105
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -419.967182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.967182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.967182 (E_RNA)
where:
Base-Base interactions energy: -274.441
where: short stacking energy: -119.119
Base-Backbone interact. energy: -0.154
local terms energy: -145.371818
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -40.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -263.054906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.054906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.054906 (E_RNA)
where:
Base-Base interactions energy: -145.407
where: short stacking energy: -71.248
Base-Backbone interact. energy: -0.394
local terms energy: -117.253778
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -179.055029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.055029 (E_RNA)
where:
Base-Base interactions energy: -66.054
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.048
local terms energy: -112.952953
where:
bonds (distance) C4'-P energy: -28.143
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -20.466
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -148.520954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.520954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.520954 (E_RNA)
where:
Base-Base interactions energy: -49.190
where: short stacking energy: -47.460
Base-Backbone interact. energy: 0.266
local terms energy: -99.597581
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -8.546
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: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -549.569791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.569791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.569791 (E_RNA)
where:
Base-Base interactions energy: -373.767
where: short stacking energy: -161.490
Base-Backbone interact. energy: 0.461
local terms energy: -176.264244
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -32.033
flat angles C4'-P-C4' energy: -39.697
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -49.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -534.311768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.311768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.311768 (E_RNA)
where:
Base-Base interactions energy: -364.543
where: short stacking energy: -166.654
Base-Backbone interact. energy: -0.056
local terms energy: -169.712848
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -34.220
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -50.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -528.744186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.744186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.744186 (E_RNA)
where:
Base-Base interactions energy: -364.715
where: short stacking energy: -158.016
Base-Backbone interact. energy: -0.481
local terms energy: -163.548185
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -49.955
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: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -510.091543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.091543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.091543 (E_RNA)
where:
Base-Base interactions energy: -350.456
where: short stacking energy: -148.783
Base-Backbone interact. energy: -0.401
local terms energy: -159.234595
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -28.873
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -41.390
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -498.337428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.337428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.337428 (E_RNA)
where:
Base-Base interactions energy: -352.247
where: short stacking energy: -147.698
Base-Backbone interact. energy: -0.137
local terms energy: -145.952833
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -31.346
flat angles C4'-P-C4' energy: -32.476
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -39.553
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -436.572087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.572087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.572087 (E_RNA)
where:
Base-Base interactions energy: -300.638
where: short stacking energy: -126.711
Base-Backbone interact. energy: -0.803
local terms energy: -135.131906
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -420.086304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.086304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.086304 (E_RNA)
where:
Base-Base interactions energy: -271.893
where: short stacking energy: -123.505
Base-Backbone interact. energy: -0.168
local terms energy: -148.025048
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -26.456
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -38.811
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: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -309.740295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.740295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.740295 (E_RNA)
where:
Base-Base interactions energy: -174.771
where: short stacking energy: -90.816
Base-Backbone interact. energy: -2.178
local terms energy: -132.791053
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -20.348
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: 406
Temperature: 1.300000
Total energy: -153.626680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.626680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.626680 (E_RNA)
where:
Base-Base interactions energy: -70.801
where: short stacking energy: -64.198
Base-Backbone interact. energy: 2.187
local terms energy: -85.013353
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -0.369
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: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -157.795047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.795047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.795047 (E_RNA)
where:
Base-Base interactions energy: -50.720
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.520
local terms energy: -106.555614
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -32.019
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -4.884
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: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -547.293416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.293416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.293416 (E_RNA)
where:
Base-Base interactions energy: -361.649
where: short stacking energy: -156.196
Base-Backbone interact. energy: -0.072
local terms energy: -185.572160
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -34.153
flat angles C4'-P-C4' energy: -36.792
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: -49.985
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -538.559386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.559386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.559386 (E_RNA)
where:
Base-Base interactions energy: -361.323
where: short stacking energy: -163.999
Base-Backbone interact. energy: -0.164
local terms energy: -177.071799
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -51.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -522.920792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.920792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.920792 (E_RNA)
where:
Base-Base interactions energy: -362.021
where: short stacking energy: -152.216
Base-Backbone interact. energy: -0.583
local terms energy: -160.316915
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -48.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -520.488296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.488296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.488296 (E_RNA)
where:
Base-Base interactions energy: -357.609
where: short stacking energy: -147.068
Base-Backbone interact. energy: -0.567
local terms energy: -162.312309
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -511.296496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.296496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.296496 (E_RNA)
where:
Base-Base interactions energy: -339.961
where: short stacking energy: -141.536
Base-Backbone interact. energy: -0.407
local terms energy: -170.928944
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -37.751
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -43.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -436.738143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.738143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.738143 (E_RNA)
where:
Base-Base interactions energy: -294.861
where: short stacking energy: -130.653
Base-Backbone interact. energy: -0.611
local terms energy: -141.266270
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -40.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -426.815135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.815135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.815135 (E_RNA)
where:
Base-Base interactions energy: -298.202
where: short stacking energy: -117.231
Base-Backbone interact. energy: 0.340
local terms energy: -128.952722
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -28.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -329.285019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.285019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.285019 (E_RNA)
where:
Base-Base interactions energy: -202.098
where: short stacking energy: -96.898
Base-Backbone interact. energy: 0.583
local terms energy: -127.770192
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -28.396
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: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -152.646187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.646187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.646187 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -33.777
Base-Backbone interact. energy: -0.869
local terms energy: -108.412598
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -186.920719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.920719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.920719 (E_RNA)
where:
Base-Base interactions energy: -107.807
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.847
local terms energy: -78.266968
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: 5.986
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: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -557.311112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.311112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.311112 (E_RNA)
where:
Base-Base interactions energy: -376.240
where: short stacking energy: -159.584
Base-Backbone interact. energy: -0.136
local terms energy: -180.935432
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -39.202
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -48.427
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: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -533.701587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.701587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.701587 (E_RNA)
where:
Base-Base interactions energy: -352.469
where: short stacking energy: -155.613
Base-Backbone interact. energy: -0.457
local terms energy: -180.775773
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -35.727
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -50.182
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: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -535.590272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.590272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.590272 (E_RNA)
where:
Base-Base interactions energy: -363.220
where: short stacking energy: -160.947
Base-Backbone interact. energy: -1.440
local terms energy: -170.930444
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -47.462
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: 408
Temperature: 1.050000
Total energy: -509.884528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.884528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.884528 (E_RNA)
where:
Base-Base interactions energy: -351.246
where: short stacking energy: -143.796
Base-Backbone interact. energy: -0.440
local terms energy: -158.199046
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -46.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -499.678890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.678890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.678890 (E_RNA)
where:
Base-Base interactions energy: -340.768
where: short stacking energy: -146.535
Base-Backbone interact. energy: -0.282
local terms energy: -158.628818
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -45.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -441.222646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.222646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.222646 (E_RNA)
where:
Base-Base interactions energy: -293.465
where: short stacking energy: -138.086
Base-Backbone interact. energy: -0.292
local terms energy: -147.465830
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: -34.697
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: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -428.295558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.295558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.295558 (E_RNA)
where:
Base-Base interactions energy: -290.024
where: short stacking energy: -117.629
Base-Backbone interact. energy: -0.469
local terms energy: -137.803180
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -34.975
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: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -351.977443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.977443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.977443 (E_RNA)
where:
Base-Base interactions energy: -212.493
where: short stacking energy: -105.056
Base-Backbone interact. energy: -0.654
local terms energy: -138.830379
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -26.031
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: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -243.129807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.129807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.129807 (E_RNA)
where:
Base-Base interactions energy: -127.502
where: short stacking energy: -66.528
Base-Backbone interact. energy: 0.811
local terms energy: -116.438339
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -11.239
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -145.192761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.192761 (E_RNA)
where:
Base-Base interactions energy: -50.638
where: short stacking energy: -46.067
Base-Backbone interact. energy: 0.563
local terms energy: -95.117082
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: 3.705
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: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -549.976991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.976991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.976991 (E_RNA)
where:
Base-Base interactions energy: -374.836
where: short stacking energy: -149.463
Base-Backbone interact. energy: -0.366
local terms energy: -174.774258
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -49.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -529.501633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.501633 (E_RNA)
where:
Base-Base interactions energy: -354.345
where: short stacking energy: -156.260
Base-Backbone interact. energy: 0.298
local terms energy: -175.454533
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -49.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -544.868860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.868860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.868860 (E_RNA)
where:
Base-Base interactions energy: -375.754
where: short stacking energy: -163.389
Base-Backbone interact. energy: -1.623
local terms energy: -167.491896
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -50.865
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: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -522.865767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.865767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.865767 (E_RNA)
where:
Base-Base interactions energy: -348.474
where: short stacking energy: -141.398
Base-Backbone interact. energy: -1.261
local terms energy: -173.130142
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -47.865
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: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -492.184537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.184537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.184537 (E_RNA)
where:
Base-Base interactions energy: -319.144
where: short stacking energy: -141.204
Base-Backbone interact. energy: -0.623
local terms energy: -172.417175
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -46.800
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: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -435.621291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.621291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.621291 (E_RNA)
where:
Base-Base interactions energy: -275.583
where: short stacking energy: -128.491
Base-Backbone interact. energy: -0.869
local terms energy: -159.169335
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -38.499
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: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -432.627631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.627631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.627631 (E_RNA)
where:
Base-Base interactions energy: -278.161
where: short stacking energy: -113.160
Base-Backbone interact. energy: -1.271
local terms energy: -153.195262
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -31.893
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: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -335.662535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.662535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.662535 (E_RNA)
where:
Base-Base interactions energy: -202.921
where: short stacking energy: -98.377
Base-Backbone interact. energy: 0.987
local terms energy: -133.728538
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -230.375152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.375152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.375152 (E_RNA)
where:
Base-Base interactions energy: -129.203
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.979
local terms energy: -100.192690
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -8.474
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: 409
Temperature: 1.350000
Total energy: -160.885279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.885279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.885279 (E_RNA)
where:
Base-Base interactions energy: -58.079
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.294
local terms energy: -102.512117
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -13.613
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: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -557.832284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.832284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.832284 (E_RNA)
where:
Base-Base interactions energy: -378.005
where: short stacking energy: -160.124
Base-Backbone interact. energy: -0.583
local terms energy: -179.244636
where:
bonds (distance) C4'-P energy: -38.194
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -45.052
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: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -516.532210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.532210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.532210 (E_RNA)
where:
Base-Base interactions energy: -363.907
where: short stacking energy: -154.132
Base-Backbone interact. energy: -1.101
local terms energy: -151.524960
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -29.982
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: -40.301
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: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -527.273356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.273356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.273356 (E_RNA)
where:
Base-Base interactions energy: -353.691
where: short stacking energy: -150.206
Base-Backbone interact. energy: -1.313
local terms energy: -172.268866
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -46.984
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -523.244695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.244695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.244695 (E_RNA)
where:
Base-Base interactions energy: -360.286
where: short stacking energy: -142.757
Base-Backbone interact. energy: -0.279
local terms energy: -162.679992
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -37.379
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -501.015026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.015026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.015026 (E_RNA)
where:
Base-Base interactions energy: -338.994
where: short stacking energy: -150.164
Base-Backbone interact. energy: -0.145
local terms energy: -161.875968
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -49.095
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: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -403.098912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.098912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.098912 (E_RNA)
where:
Base-Base interactions energy: -260.298
where: short stacking energy: -116.896
Base-Backbone interact. energy: -0.624
local terms energy: -142.177767
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -36.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -451.137427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.137427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.137427 (E_RNA)
where:
Base-Base interactions energy: -300.314
where: short stacking energy: -118.903
Base-Backbone interact. energy: -0.023
local terms energy: -150.800680
where:
bonds (distance) C4'-P energy: -32.026
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -40.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -334.323744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.323744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.323744 (E_RNA)
where:
Base-Base interactions energy: -207.467
where: short stacking energy: -102.448
Base-Backbone interact. energy: -0.864
local terms energy: -125.991964
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -20.161
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: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -159.465697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.465697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.465697 (E_RNA)
where:
Base-Base interactions energy: -52.125
where: short stacking energy: -47.701
Base-Backbone interact. energy: 0.309
local terms energy: -107.650495
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -19.141
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: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -244.348456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.348456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.348456 (E_RNA)
where:
Base-Base interactions energy: -135.277
where: short stacking energy: -66.586
Base-Backbone interact. energy: 0.121
local terms energy: -109.192008
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -10.438
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: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -558.577908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.577908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.577908 (E_RNA)
where:
Base-Base interactions energy: -382.149
where: short stacking energy: -154.265
Base-Backbone interact. energy: -0.507
local terms energy: -175.922377
where:
bonds (distance) C4'-P energy: -35.035
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -49.860
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: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -526.620622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.620622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.620622 (E_RNA)
where:
Base-Base interactions energy: -362.144
where: short stacking energy: -149.136
Base-Backbone interact. energy: -0.502
local terms energy: -163.975216
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -34.679
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -47.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -515.806266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.806266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.806266 (E_RNA)
where:
Base-Base interactions energy: -340.886
where: short stacking energy: -141.329
Base-Backbone interact. energy: -0.274
local terms energy: -174.646159
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -36.942
flat angles P-C4'-P energy: -28.751
tors. eta vs tors. theta energy: -42.833
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -516.304706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.304706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.304706 (E_RNA)
where:
Base-Base interactions energy: -348.348
where: short stacking energy: -142.373
Base-Backbone interact. energy: -1.408
local terms energy: -166.549473
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -33.241
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -48.517
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: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -496.627310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.627310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.627310 (E_RNA)
where:
Base-Base interactions energy: -340.616
where: short stacking energy: -147.449
Base-Backbone interact. energy: -0.041
local terms energy: -155.970262
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -42.175
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: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -460.890334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.890334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.890334 (E_RNA)
where:
Base-Base interactions energy: -305.885
where: short stacking energy: -129.094
Base-Backbone interact. energy: -0.426
local terms energy: -154.578779
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -31.892
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -34.413
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: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -370.731768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.731768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.731768 (E_RNA)
where:
Base-Base interactions energy: -231.648
where: short stacking energy: -106.100
Base-Backbone interact. energy: 0.565
local terms energy: -139.648693
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -30.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -312.321170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.321170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.321170 (E_RNA)
where:
Base-Base interactions energy: -184.486
where: short stacking energy: -86.370
Base-Backbone interact. energy: -0.426
local terms energy: -127.409499
where:
bonds (distance) C4'-P energy: -31.371
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -15.085
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -167.613972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.613972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.613972 (E_RNA)
where:
Base-Base interactions energy: -70.833
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.380
local terms energy: -96.400584
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -6.334
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: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -240.470990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.470990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.470990 (E_RNA)
where:
Base-Base interactions energy: -128.121
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.411
local terms energy: -111.938802
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -13.874
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: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -557.401617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.401617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.401617 (E_RNA)
where:
Base-Base interactions energy: -379.564
where: short stacking energy: -167.678
Base-Backbone interact. energy: -0.168
local terms energy: -177.669616
where:
bonds (distance) C4'-P energy: -36.894
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -52.959
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: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -542.052396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.052396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.052396 (E_RNA)
where:
Base-Base interactions energy: -374.673
where: short stacking energy: -161.982
Base-Backbone interact. energy: -0.113
local terms energy: -167.266407
where:
bonds (distance) C4'-P energy: -31.738
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -48.552
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: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -526.415625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.415625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.415625 (E_RNA)
where:
Base-Base interactions energy: -350.812
where: short stacking energy: -142.121
Base-Backbone interact. energy: 1.458
local terms energy: -177.061483
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -44.123
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -520.599260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.599260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.599260 (E_RNA)
where:
Base-Base interactions energy: -362.287
where: short stacking energy: -154.413
Base-Backbone interact. energy: -0.208
local terms energy: -158.104681
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -42.512
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: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -504.915409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.915409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.915409 (E_RNA)
where:
Base-Base interactions energy: -353.349
where: short stacking energy: -146.177
Base-Backbone interact. energy: 0.232
local terms energy: -151.798671
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -44.322
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: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -432.147193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.147193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.147193 (E_RNA)
where:
Base-Base interactions energy: -284.798
where: short stacking energy: -115.207
Base-Backbone interact. energy: -0.109
local terms energy: -147.239722
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -32.779
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: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -401.532657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.532657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.532657 (E_RNA)
where:
Base-Base interactions energy: -261.906
where: short stacking energy: -111.319
Base-Backbone interact. energy: -1.689
local terms energy: -137.938067
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -35.170
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -320.668611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.668611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.668611 (E_RNA)
where:
Base-Base interactions energy: -190.005
where: short stacking energy: -78.806
Base-Backbone interact. energy: 0.989
local terms energy: -131.652168
where:
bonds (distance) C4'-P energy: -33.729
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -172.705656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.705656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.705656 (E_RNA)
where:
Base-Base interactions energy: -67.307
where: short stacking energy: -48.369
Base-Backbone interact. energy: 1.633
local terms energy: -107.032208
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -19.270
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: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -151.655009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655009 (E_RNA)
where:
Base-Base interactions energy: -60.379
where: short stacking energy: -48.289
Base-Backbone interact. energy: -0.201
local terms energy: -91.075127
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: 1.932
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: 413
Temperature: 0.900000
Total energy: -544.786869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.786869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.786869 (E_RNA)
where:
Base-Base interactions energy: -372.746
where: short stacking energy: -155.601
Base-Backbone interact. energy: 0.512
local terms energy: -172.553593
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -50.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -526.463430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.463430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.463430 (E_RNA)
where:
Base-Base interactions energy: -361.089
where: short stacking energy: -144.653
Base-Backbone interact. energy: -0.569
local terms energy: -164.805704
where:
bonds (distance) C4'-P energy: -31.709
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -37.221
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -40.470
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: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -527.822289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.822289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.822289 (E_RNA)
where:
Base-Base interactions energy: -353.377
where: short stacking energy: -149.962
Base-Backbone interact. energy: -1.562
local terms energy: -172.883520
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -33.035
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -47.692
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: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -507.977748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.977748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.977748 (E_RNA)
where:
Base-Base interactions energy: -344.478
where: short stacking energy: -152.738
Base-Backbone interact. energy: -0.021
local terms energy: -163.478454
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -46.477
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: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -486.041815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.041815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.041815 (E_RNA)
where:
Base-Base interactions energy: -338.651
where: short stacking energy: -135.485
Base-Backbone interact. energy: -0.296
local terms energy: -147.094372
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -34.151
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: -37.782
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: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -414.218695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.218695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.218695 (E_RNA)
where:
Base-Base interactions energy: -262.342
where: short stacking energy: -123.569
Base-Backbone interact. energy: -0.988
local terms energy: -150.887852
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -414.791468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.791468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.791468 (E_RNA)
where:
Base-Base interactions energy: -283.729
where: short stacking energy: -117.247
Base-Backbone interact. energy: -0.362
local terms energy: -130.700202
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -26.902
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -326.719164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.719164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.719164 (E_RNA)
where:
Base-Base interactions energy: -190.047
where: short stacking energy: -94.202
Base-Backbone interact. energy: -0.646
local terms energy: -136.026523
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -26.271
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: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -180.390200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.390200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.390200 (E_RNA)
where:
Base-Base interactions energy: -81.877
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.675
local terms energy: -97.838195
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -7.828
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -162.295754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.295754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.295754 (E_RNA)
where:
Base-Base interactions energy: -62.612
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.444
local terms energy: -99.240226
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -3.021
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: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -549.157373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.157373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.157373 (E_RNA)
where:
Base-Base interactions energy: -372.707
where: short stacking energy: -153.345
Base-Backbone interact. energy: -0.760
local terms energy: -175.690619
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -37.854
flat angles C4'-P-C4' energy: -37.616
flat angles P-C4'-P energy: -28.541
tors. eta vs tors. theta energy: -47.155
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: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -524.341114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.341114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.341114 (E_RNA)
where:
Base-Base interactions energy: -363.030
where: short stacking energy: -161.247
Base-Backbone interact. energy: -0.037
local terms energy: -161.274461
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -47.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -524.488682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.488682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.488682 (E_RNA)
where:
Base-Base interactions energy: -362.223
where: short stacking energy: -145.823
Base-Backbone interact. energy: -0.360
local terms energy: -161.906103
where:
bonds (distance) C4'-P energy: -33.755
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -39.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -516.429028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.429028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.429028 (E_RNA)
where:
Base-Base interactions energy: -362.771
where: short stacking energy: -150.196
Base-Backbone interact. energy: -0.934
local terms energy: -152.724655
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -42.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -501.871945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.871945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.871945 (E_RNA)
where:
Base-Base interactions energy: -349.463
where: short stacking energy: -142.306
Base-Backbone interact. energy: -0.241
local terms energy: -152.167983
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -41.147
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: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -416.054843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.054843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.054843 (E_RNA)
where:
Base-Base interactions energy: -276.576
where: short stacking energy: -123.453
Base-Backbone interact. energy: -0.253
local terms energy: -139.225673
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -37.051
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: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -405.791965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.791965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.791965 (E_RNA)
where:
Base-Base interactions energy: -263.399
where: short stacking energy: -116.054
Base-Backbone interact. energy: -0.664
local terms energy: -141.728136
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -32.351
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: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -322.255358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.255358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.255358 (E_RNA)
where:
Base-Base interactions energy: -184.790
where: short stacking energy: -92.579
Base-Backbone interact. energy: -0.644
local terms energy: -136.821409
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -26.636
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: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -197.084910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.084910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.084910 (E_RNA)
where:
Base-Base interactions energy: -80.960
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.814
local terms energy: -115.310417
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: 1.471
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: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -162.528457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.528457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.528457 (E_RNA)
where:
Base-Base interactions energy: -58.480
where: short stacking energy: -52.028
Base-Backbone interact. energy: 0.064
local terms energy: -104.112700
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: 0.905
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: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -548.106257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.106257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.106257 (E_RNA)
where:
Base-Base interactions energy: -365.825
where: short stacking energy: -156.056
Base-Backbone interact. energy: -0.685
local terms energy: -181.596832
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -38.788
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -50.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -541.054468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.054468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.054468 (E_RNA)
where:
Base-Base interactions energy: -363.979
where: short stacking energy: -151.678
Base-Backbone interact. energy: -0.163
local terms energy: -176.912708
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -44.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -521.088139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.088139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.088139 (E_RNA)
where:
Base-Base interactions energy: -347.396
where: short stacking energy: -149.494
Base-Backbone interact. energy: -0.188
local terms energy: -173.503608
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -32.692
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -47.952
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: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -510.124045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.124045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.124045 (E_RNA)
where:
Base-Base interactions energy: -344.635
where: short stacking energy: -150.640
Base-Backbone interact. energy: -0.100
local terms energy: -165.388335
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -42.793
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: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -484.584851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.584851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.584851 (E_RNA)
where:
Base-Base interactions energy: -328.078
where: short stacking energy: -140.585
Base-Backbone interact. energy: -0.255
local terms energy: -156.252429
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -40.913
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: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -430.351021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.351021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.351021 (E_RNA)
where:
Base-Base interactions energy: -286.513
where: short stacking energy: -123.925
Base-Backbone interact. energy: -0.321
local terms energy: -143.516831
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -34.451
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: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -390.525058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.525058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.525058 (E_RNA)
where:
Base-Base interactions energy: -258.206
where: short stacking energy: -99.679
Base-Backbone interact. energy: -0.111
local terms energy: -132.207607
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -22.262
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -279.993803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.993803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.993803 (E_RNA)
where:
Base-Base interactions energy: -171.511
where: short stacking energy: -70.536
Base-Backbone interact. energy: 0.104
local terms energy: -108.587416
where:
bonds (distance) C4'-P energy: -28.692
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -11.120
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: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -146.844837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.844837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.844837 (E_RNA)
where:
Base-Base interactions energy: -47.192
where: short stacking energy: -43.825
Base-Backbone interact. energy: -1.754
local terms energy: -97.898886
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: 1.707
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: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -159.619751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.619751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.619751 (E_RNA)
where:
Base-Base interactions energy: -69.637
where: short stacking energy: -49.270
Base-Backbone interact. energy: 0.524
local terms energy: -90.507226
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: 0.133
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: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -546.097009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.097009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.097009 (E_RNA)
where:
Base-Base interactions energy: -371.199
where: short stacking energy: -148.453
Base-Backbone interact. energy: -1.498
local terms energy: -173.400329
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -44.097
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: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -542.619928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.619928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.619928 (E_RNA)
where:
Base-Base interactions energy: -364.535
where: short stacking energy: -159.317
Base-Backbone interact. energy: -0.586
local terms energy: -177.498784
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -45.421
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: 416
Temperature: 1.000000
Total energy: -520.416300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.416300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.416300 (E_RNA)
where:
Base-Base interactions energy: -346.776
where: short stacking energy: -148.849
Base-Backbone interact. energy: -0.244
local terms energy: -173.396459
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -46.131
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: 416
Temperature: 1.050000
Total energy: -516.435190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.435190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.435190 (E_RNA)
where:
Base-Base interactions energy: -352.370
where: short stacking energy: -149.238
Base-Backbone interact. energy: -0.328
local terms energy: -163.737196
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -46.946
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: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -506.289321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.289321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.289321 (E_RNA)
where:
Base-Base interactions energy: -345.221
where: short stacking energy: -154.004
Base-Backbone interact. energy: -0.220
local terms energy: -160.847999
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -44.395
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: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -438.117155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.117155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.117155 (E_RNA)
where:
Base-Base interactions energy: -289.278
where: short stacking energy: -133.224
Base-Backbone interact. energy: -0.089
local terms energy: -148.750403
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -33.891
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -41.225
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: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -371.334296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.334296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.334296 (E_RNA)
where:
Base-Base interactions energy: -232.242
where: short stacking energy: -105.612
Base-Backbone interact. energy: -0.181
local terms energy: -138.911335
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -27.116
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: -33.947
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: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -284.260593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.260593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.260593 (E_RNA)
where:
Base-Base interactions energy: -164.363
where: short stacking energy: -90.064
Base-Backbone interact. energy: -0.178
local terms energy: -119.719447
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -33.165
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -21.397
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: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -161.867749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.867749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.867749 (E_RNA)
where:
Base-Base interactions energy: -76.510
where: short stacking energy: -58.657
Base-Backbone interact. energy: 1.419
local terms energy: -86.776823
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -25.217
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -9.225
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -149.469499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.469499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.469499 (E_RNA)
where:
Base-Base interactions energy: -52.325
where: short stacking energy: -34.532
Base-Backbone interact. energy: -0.316
local terms energy: -96.829154
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: 6.854
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: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -538.226932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.226932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.226932 (E_RNA)
where:
Base-Base interactions energy: -366.522
where: short stacking energy: -156.696
Base-Backbone interact. energy: -0.206
local terms energy: -171.499109
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -48.865
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -533.008360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.008360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.008360 (E_RNA)
where:
Base-Base interactions energy: -363.715
where: short stacking energy: -141.198
Base-Backbone interact. energy: 0.772
local terms energy: -170.065376
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -45.921
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: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -532.420994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.420994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.420994 (E_RNA)
where:
Base-Base interactions energy: -367.679
where: short stacking energy: -155.762
Base-Backbone interact. energy: -0.113
local terms energy: -164.628945
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -504.906373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.906373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.906373 (E_RNA)
where:
Base-Base interactions energy: -340.611
where: short stacking energy: -145.683
Base-Backbone interact. energy: -0.126
local terms energy: -164.169341
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -41.143
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: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -489.617444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.617444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.617444 (E_RNA)
where:
Base-Base interactions energy: -336.965
where: short stacking energy: -143.508
Base-Backbone interact. energy: -1.965
local terms energy: -150.686571
where:
bonds (distance) C4'-P energy: -26.910
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -18.212
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: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -440.416379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.416379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.416379 (E_RNA)
where:
Base-Base interactions energy: -297.942
where: short stacking energy: -134.424
Base-Backbone interact. energy: -0.467
local terms energy: -142.007715
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -40.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -374.205205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.205205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.205205 (E_RNA)
where:
Base-Base interactions energy: -231.294
where: short stacking energy: -99.455
Base-Backbone interact. energy: -0.289
local terms energy: -142.622692
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -33.766
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: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -276.628205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.628205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.628205 (E_RNA)
where:
Base-Base interactions energy: -145.483
where: short stacking energy: -75.606
Base-Backbone interact. energy: -1.458
local terms energy: -129.686769
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -23.279
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: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -165.571145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.571145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.571145 (E_RNA)
where:
Base-Base interactions energy: -60.317
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.458
local terms energy: -104.796803
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -10.844
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: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -142.068992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.068992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.068992 (E_RNA)
where:
Base-Base interactions energy: -48.001
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.409
local terms energy: -93.659534
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -550.817848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.817848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.817848 (E_RNA)
where:
Base-Base interactions energy: -384.673
where: short stacking energy: -150.302
Base-Backbone interact. energy: -0.666
local terms energy: -165.478659
where:
bonds (distance) C4'-P energy: -31.102
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -40.530
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: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -544.557417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.557417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.557417 (E_RNA)
where:
Base-Base interactions energy: -375.026
where: short stacking energy: -143.041
Base-Backbone interact. energy: -0.636
local terms energy: -168.895516
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -40.784
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: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -521.357722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.357722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.357722 (E_RNA)
where:
Base-Base interactions energy: -358.078
where: short stacking energy: -160.601
Base-Backbone interact. energy: -0.072
local terms energy: -163.208014
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -46.604
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: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -509.968321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.968321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.968321 (E_RNA)
where:
Base-Base interactions energy: -334.398
where: short stacking energy: -143.651
Base-Backbone interact. energy: -0.254
local terms energy: -175.316367
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -45.931
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -511.781646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.781646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.781646 (E_RNA)
where:
Base-Base interactions energy: -351.197
where: short stacking energy: -141.851
Base-Backbone interact. energy: -0.589
local terms energy: -159.995977
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -43.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -421.981425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.981425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.981425 (E_RNA)
where:
Base-Base interactions energy: -279.559
where: short stacking energy: -116.644
Base-Backbone interact. energy: 0.506
local terms energy: -142.928494
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -32.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -359.057799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.057799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.057799 (E_RNA)
where:
Base-Base interactions energy: -214.911
where: short stacking energy: -103.253
Base-Backbone interact. energy: 3.344
local terms energy: -147.491119
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -33.241
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -277.474243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.474243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.474243 (E_RNA)
where:
Base-Base interactions energy: -159.150
where: short stacking energy: -77.882
Base-Backbone interact. energy: -0.694
local terms energy: -117.630287
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -13.615
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: 418
Temperature: 1.300000
Total energy: -157.233879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.233879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.233879 (E_RNA)
where:
Base-Base interactions energy: -67.764
where: short stacking energy: -62.882
Base-Backbone interact. energy: 0.205
local terms energy: -89.674387
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -4.608
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: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -156.758785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.758785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.758785 (E_RNA)
where:
Base-Base interactions energy: -69.776
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.692
local terms energy: -86.290982
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -8.475
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: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -546.545264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.545264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.545264 (E_RNA)
where:
Base-Base interactions energy: -376.375
where: short stacking energy: -142.248
Base-Backbone interact. energy: -0.332
local terms energy: -169.837693
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -37.234
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -37.787
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: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -529.668645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.668645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.668645 (E_RNA)
where:
Base-Base interactions energy: -349.464
where: short stacking energy: -150.704
Base-Backbone interact. energy: -0.282
local terms energy: -179.922395
where:
bonds (distance) C4'-P energy: -36.489
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -39.879
flat angles P-C4'-P energy: -23.042
tors. eta vs tors. theta energy: -47.961
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -530.600666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.600666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.600666 (E_RNA)
where:
Base-Base interactions energy: -361.917
where: short stacking energy: -143.748
Base-Backbone interact. energy: -0.445
local terms energy: -168.238870
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -44.874
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -527.101566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.101566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.101566 (E_RNA)
where:
Base-Base interactions energy: -370.654
where: short stacking energy: -143.994
Base-Backbone interact. energy: 0.053
local terms energy: -156.499659
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -35.628
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -45.325
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: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -494.651981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.651981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.651981 (E_RNA)
where:
Base-Base interactions energy: -337.522
where: short stacking energy: -133.223
Base-Backbone interact. energy: -0.551
local terms energy: -156.579000
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -36.172
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -38.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -429.327122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.327122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.327122 (E_RNA)
where:
Base-Base interactions energy: -281.900
where: short stacking energy: -114.698
Base-Backbone interact. energy: -0.693
local terms energy: -146.734266
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -40.748
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: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -367.125079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.125079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.125079 (E_RNA)
where:
Base-Base interactions energy: -220.403
where: short stacking energy: -103.256
Base-Backbone interact. energy: -0.364
local terms energy: -146.357294
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -34.771
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -24.512
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: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -159.349585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.349585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.349585 (E_RNA)
where:
Base-Base interactions energy: -61.782
where: short stacking energy: -47.775
Base-Backbone interact. energy: 0.566
local terms energy: -98.134038
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -15.230
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: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -259.285704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.285704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.285704 (E_RNA)
where:
Base-Base interactions energy: -144.581
where: short stacking energy: -81.241
Base-Backbone interact. energy: -0.780
local terms energy: -113.924760
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -167.460004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.460004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.460004 (E_RNA)
where:
Base-Base interactions energy: -71.331
where: short stacking energy: -49.210
Base-Backbone interact. energy: -1.100
local terms energy: -95.028781
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: 5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -541.325201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.325201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.325201 (E_RNA)
where:
Base-Base interactions energy: -370.527
where: short stacking energy: -157.273
Base-Backbone interact. energy: -0.107
local terms energy: -170.691610
where:
bonds (distance) C4'-P energy: -35.233
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -35.412
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -47.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -534.104853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.104853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.104853 (E_RNA)
where:
Base-Base interactions energy: -364.245
where: short stacking energy: -148.255
Base-Backbone interact. energy: -0.410
local terms energy: -169.450399
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -44.190
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: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -539.177365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.177365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.177365 (E_RNA)
where:
Base-Base interactions energy: -374.089
where: short stacking energy: -146.554
Base-Backbone interact. energy: 0.117
local terms energy: -165.204659
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -31.635
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -39.204
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: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -520.832122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.832122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.832122 (E_RNA)
where:
Base-Base interactions energy: -361.319
where: short stacking energy: -151.811
Base-Backbone interact. energy: -0.987
local terms energy: -158.526487
where:
bonds (distance) C4'-P energy: -28.086
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -43.492
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: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -502.472987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.472987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.472987 (E_RNA)
where:
Base-Base interactions energy: -342.907
where: short stacking energy: -140.761
Base-Backbone interact. energy: -0.099
local terms energy: -159.466643
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -41.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -410.716735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.716735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.716735 (E_RNA)
where:
Base-Base interactions energy: -271.379
where: short stacking energy: -113.949
Base-Backbone interact. energy: -1.003
local terms energy: -138.334224
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -29.244
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: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -386.833167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.833167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.833167 (E_RNA)
where:
Base-Base interactions energy: -252.915
where: short stacking energy: -101.627
Base-Backbone interact. energy: -1.300
local terms energy: -132.617832
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -30.942
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -172.873550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.873550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.873550 (E_RNA)
where:
Base-Base interactions energy: -68.068
where: short stacking energy: -52.329
Base-Backbone interact. energy: 0.056
local terms energy: -104.860844
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -4.675
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: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -154.657997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.657997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.657997 (E_RNA)
where:
Base-Base interactions energy: -58.702
where: short stacking energy: -33.363
Base-Backbone interact. energy: -1.867
local terms energy: -94.089115
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: 4.272
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: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -255.803304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.803304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.803304 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -80.493
Base-Backbone interact. energy: -1.582
local terms energy: -97.543623
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -14.635
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: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -537.176385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.176385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.176385 (E_RNA)
where:
Base-Base interactions energy: -361.048
where: short stacking energy: -156.986
Base-Backbone interact. energy: -0.135
local terms energy: -175.993377
where:
bonds (distance) C4'-P energy: -37.266
bonds (distance) P-C4' energy: -34.906
flat angles C4'-P-C4' energy: -32.151
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -45.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -516.075272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.075272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.075272 (E_RNA)
where:
Base-Base interactions energy: -350.203
where: short stacking energy: -162.192
Base-Backbone interact. energy: -0.118
local terms energy: -165.754522
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -33.831
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -48.018
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -521.164195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.164195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.164195 (E_RNA)
where:
Base-Base interactions energy: -353.888
where: short stacking energy: -152.102
Base-Backbone interact. energy: -1.208
local terms energy: -166.068196
where:
bonds (distance) C4'-P energy: -28.839
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -45.858
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: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -505.533741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.533741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.533741 (E_RNA)
where:
Base-Base interactions energy: -344.706
where: short stacking energy: -149.424
Base-Backbone interact. energy: -0.082
local terms energy: -160.745576
where:
bonds (distance) C4'-P energy: -31.153
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -496.119953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.119953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.119953 (E_RNA)
where:
Base-Base interactions energy: -330.472
where: short stacking energy: -143.732
Base-Backbone interact. energy: -0.049
local terms energy: -165.598517
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -43.632
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: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -414.272502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.272502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.272502 (E_RNA)
where:
Base-Base interactions energy: -253.643
where: short stacking energy: -115.140
Base-Backbone interact. energy: -0.061
local terms energy: -160.569324
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -37.679
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: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -392.816843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.816843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.816843 (E_RNA)
where:
Base-Base interactions energy: -261.943
where: short stacking energy: -109.742
Base-Backbone interact. energy: -0.361
local terms energy: -130.512435
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -29.008
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: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -162.048370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.048370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.048370 (E_RNA)
where:
Base-Base interactions energy: -55.935
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.431
local terms energy: -105.681987
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: 2.823
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: 421
Temperature: 1.300000
Total energy: -153.289408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.289408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.289408 (E_RNA)
where:
Base-Base interactions energy: -61.926
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.232
local terms energy: -91.131788
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -1.542
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: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -243.116244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.116244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.116244 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -68.472
Base-Backbone interact. energy: 0.925
local terms energy: -98.055155
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -10.809
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: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -551.011697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.011697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.011697 (E_RNA)
where:
Base-Base interactions energy: -371.976
where: short stacking energy: -164.708
Base-Backbone interact. energy: -1.110
local terms energy: -177.925090
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -37.506
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -47.850
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: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -527.211036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.211036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.211036 (E_RNA)
where:
Base-Base interactions energy: -352.470
where: short stacking energy: -152.918
Base-Backbone interact. energy: -0.331
local terms energy: -174.410127
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -48.596
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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -515.577330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.577330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.577330 (E_RNA)
where:
Base-Base interactions energy: -359.652
where: short stacking energy: -159.973
Base-Backbone interact. energy: -0.616
local terms energy: -155.309307
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -50.480
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: 422
Temperature: 1.050000
Total energy: -510.865644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.865644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.865644 (E_RNA)
where:
Base-Base interactions energy: -345.078
where: short stacking energy: -143.850
Base-Backbone interact. energy: -0.219
local terms energy: -165.568539
where:
bonds (distance) C4'-P energy: -32.484
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -45.614
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: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -502.694006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.694006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.694006 (E_RNA)
where:
Base-Base interactions energy: -349.470
where: short stacking energy: -141.328
Base-Backbone interact. energy: -0.090
local terms energy: -153.134233
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -44.502
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: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -431.972746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.972746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.972746 (E_RNA)
where:
Base-Base interactions energy: -277.824
where: short stacking energy: -127.572
Base-Backbone interact. energy: -0.772
local terms energy: -153.376973
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -41.148
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: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -404.733919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.733919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.733919 (E_RNA)
where:
Base-Base interactions energy: -275.929
where: short stacking energy: -114.161
Base-Backbone interact. energy: -0.262
local terms energy: -128.542890
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -24.407
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: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -187.963851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.963851 (E_RNA)
where:
Base-Base interactions energy: -78.832
where: short stacking energy: -60.418
Base-Backbone interact. energy: 0.716
local terms energy: -109.847395
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -10.263
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: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -199.781595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.781595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.781595 (E_RNA)
where:
Base-Base interactions energy: -112.690
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.722
local terms energy: -86.369575
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -141.765883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.765883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.765883 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.415
local terms energy: -99.223901
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: 4.843
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -563.087353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.087353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.087353 (E_RNA)
where:
Base-Base interactions energy: -380.389
where: short stacking energy: -166.163
Base-Backbone interact. energy: -0.336
local terms energy: -182.362550
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -51.260
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -537.857011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.857011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.857011 (E_RNA)
where:
Base-Base interactions energy: -362.027
where: short stacking energy: -168.903
Base-Backbone interact. energy: -0.057
local terms energy: -175.772641
where:
bonds (distance) C4'-P energy: -31.101
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -28.596
tors. eta vs tors. theta energy: -55.201
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: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -536.880132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.880132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.880132 (E_RNA)
where:
Base-Base interactions energy: -366.209
where: short stacking energy: -156.120
Base-Backbone interact. energy: -0.348
local terms energy: -170.322527
where:
bonds (distance) C4'-P energy: -30.569
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -43.001
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: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -516.480306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.480306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.480306 (E_RNA)
where:
Base-Base interactions energy: -347.999
where: short stacking energy: -142.909
Base-Backbone interact. energy: -0.124
local terms energy: -168.358063
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -34.429
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -51.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -502.692845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.692845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.692845 (E_RNA)
where:
Base-Base interactions energy: -344.440
where: short stacking energy: -147.510
Base-Backbone interact. energy: -0.170
local terms energy: -158.082440
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -36.497
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -40.105
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: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -429.078762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.078762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.078762 (E_RNA)
where:
Base-Base interactions energy: -282.646
where: short stacking energy: -121.313
Base-Backbone interact. energy: -0.094
local terms energy: -146.339301
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -36.264
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: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -412.343599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.343599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.343599 (E_RNA)
where:
Base-Base interactions energy: -272.801
where: short stacking energy: -125.864
Base-Backbone interact. energy: -0.116
local terms energy: -139.426801
where:
bonds (distance) C4'-P energy: -30.245
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -38.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -188.961474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.961474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.961474 (E_RNA)
where:
Base-Base interactions energy: -86.449
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.234
local terms energy: -102.278551
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -164.776356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.776356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.776356 (E_RNA)
where:
Base-Base interactions energy: -66.399
where: short stacking energy: -61.849
Base-Backbone interact. energy: -1.073
local terms energy: -97.303984
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -7.037
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -135.327527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.327527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.327527 (E_RNA)
where:
Base-Base interactions energy: -43.316
where: short stacking energy: -39.967
Base-Backbone interact. energy: -0.933
local terms energy: -91.078490
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -558.879034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.879034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.879034 (E_RNA)
where:
Base-Base interactions energy: -377.106
where: short stacking energy: -167.551
Base-Backbone interact. energy: 1.422
local terms energy: -183.195856
where:
bonds (distance) C4'-P energy: -34.747
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -36.019
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -50.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -542.139059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.139059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.139059 (E_RNA)
where:
Base-Base interactions energy: -366.461
where: short stacking energy: -154.565
Base-Backbone interact. energy: 1.467
local terms energy: -177.145052
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -37.470
flat angles C4'-P-C4' energy: -32.321
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -45.473
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -533.415400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.415400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.415400 (E_RNA)
where:
Base-Base interactions energy: -362.072
where: short stacking energy: -151.551
Base-Backbone interact. energy: -0.109
local terms energy: -171.234683
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -36.737
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -50.447
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: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -518.623034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.623034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.623034 (E_RNA)
where:
Base-Base interactions energy: -350.089
where: short stacking energy: -146.401
Base-Backbone interact. energy: -0.342
local terms energy: -168.191894
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -46.653
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: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -498.868396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.868396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.868396 (E_RNA)
where:
Base-Base interactions energy: -347.366
where: short stacking energy: -143.031
Base-Backbone interact. energy: -0.320
local terms energy: -151.182107
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -39.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -403.911989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.911989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.911989 (E_RNA)
where:
Base-Base interactions energy: -270.026
where: short stacking energy: -109.647
Base-Backbone interact. energy: -0.169
local terms energy: -133.716466
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -419.807429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.807429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.807429 (E_RNA)
where:
Base-Base interactions energy: -272.754
where: short stacking energy: -129.756
Base-Backbone interact. energy: 1.491
local terms energy: -148.544616
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -33.078
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -39.614
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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -162.600414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.600414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.600414 (E_RNA)
where:
Base-Base interactions energy: -57.889
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.438
local terms energy: -104.273059
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -0.529
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: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -160.757509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.757509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.757509 (E_RNA)
where:
Base-Base interactions energy: -61.756
where: short stacking energy: -53.701
Base-Backbone interact. energy: -0.365
local terms energy: -98.636273
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -34.399
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -139.624049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.624049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.624049 (E_RNA)
where:
Base-Base interactions energy: -42.456
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.323
local terms energy: -96.845145
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -1.670
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -551.098347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.098347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.098347 (E_RNA)
where:
Base-Base interactions energy: -368.840
where: short stacking energy: -165.446
Base-Backbone interact. energy: 0.281
local terms energy: -182.539685
where:
bonds (distance) C4'-P energy: -30.400
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -41.014
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -52.505
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: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -540.747310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.747310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.747310 (E_RNA)
where:
Base-Base interactions energy: -365.937
where: short stacking energy: -150.646
Base-Backbone interact. energy: -0.659
local terms energy: -174.151004
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -40.155
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -49.468
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: 425
Temperature: 1.000000
Total energy: -525.904778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.904778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.904778 (E_RNA)
where:
Base-Base interactions energy: -357.290
where: short stacking energy: -152.989
Base-Backbone interact. energy: -0.633
local terms energy: -167.981621
where:
bonds (distance) C4'-P energy: -34.985
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -47.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -517.927417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.927417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.927417 (E_RNA)
where:
Base-Base interactions energy: -374.123
where: short stacking energy: -148.914
Base-Backbone interact. energy: -0.120
local terms energy: -143.684277
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -40.522
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: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -483.594558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.594558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.594558 (E_RNA)
where:
Base-Base interactions energy: -319.277
where: short stacking energy: -135.283
Base-Backbone interact. energy: -0.366
local terms energy: -163.952109
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -39.977
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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -476.685875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.685875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.685875 (E_RNA)
where:
Base-Base interactions energy: -315.464
where: short stacking energy: -134.670
Base-Backbone interact. energy: -1.221
local terms energy: -160.001275
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -43.111
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: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -447.454688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.454688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.454688 (E_RNA)
where:
Base-Base interactions energy: -285.445
where: short stacking energy: -117.879
Base-Backbone interact. energy: -0.034
local terms energy: -161.975132
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -35.062
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: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -164.969021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.969021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.969021 (E_RNA)
where:
Base-Base interactions energy: -57.678
where: short stacking energy: -57.678
Base-Backbone interact. energy: 1.061
local terms energy: -108.351978
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -147.349006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.349006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.349006 (E_RNA)
where:
Base-Base interactions energy: -49.609
where: short stacking energy: -44.043
Base-Backbone interact. energy: -0.282
local terms energy: -97.457360
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -0.038
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: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -137.443361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.443361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.443361 (E_RNA)
where:
Base-Base interactions energy: -45.344
where: short stacking energy: -31.268
Base-Backbone interact. energy: -1.013
local terms energy: -91.086568
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: 7.304
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: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -552.482387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.482387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.482387 (E_RNA)
where:
Base-Base interactions energy: -362.427
where: short stacking energy: -158.563
Base-Backbone interact. energy: -1.084
local terms energy: -188.972110
where:
bonds (distance) C4'-P energy: -37.945
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -38.242
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -49.680
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: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -528.965295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.965295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.965295 (E_RNA)
where:
Base-Base interactions energy: -352.657
where: short stacking energy: -144.513
Base-Backbone interact. energy: -0.382
local terms energy: -175.925903
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -39.237
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -44.725
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: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -528.583198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.583198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.583198 (E_RNA)
where:
Base-Base interactions energy: -353.850
where: short stacking energy: -153.457
Base-Backbone interact. energy: -0.197
local terms energy: -174.535974
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -34.215
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -45.159
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: 4, replica: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -503.707158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.707158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.707158 (E_RNA)
where:
Base-Base interactions energy: -345.790
where: short stacking energy: -141.403
Base-Backbone interact. energy: -1.174
local terms energy: -156.743140
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -42.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -489.832165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.832165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.832165 (E_RNA)
where:
Base-Base interactions energy: -335.000
where: short stacking energy: -139.365
Base-Backbone interact. energy: -1.168
local terms energy: -153.664365
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -48.678
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -455.571356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.571356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.571356 (E_RNA)
where:
Base-Base interactions energy: -305.631
where: short stacking energy: -141.217
Base-Backbone interact. energy: 0.873
local terms energy: -150.813372
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -45.015
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: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -411.084081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.084081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.084081 (E_RNA)
where:
Base-Base interactions energy: -278.329
where: short stacking energy: -118.998
Base-Backbone interact. energy: -0.214
local terms energy: -132.541394
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -26.109
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: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -180.290094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.290094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.290094 (E_RNA)
where:
Base-Base interactions energy: -69.252
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.733
local terms energy: -110.305059
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -177.600677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.600677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.600677 (E_RNA)
where:
Base-Base interactions energy: -68.802
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.005
local terms energy: -108.793459
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -140.004094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.004094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.004094 (E_RNA)
where:
Base-Base interactions energy: -41.282
where: short stacking energy: -40.441
Base-Backbone interact. energy: -0.402
local terms energy: -98.320145
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -539.078508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.078508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.078508 (E_RNA)
where:
Base-Base interactions energy: -363.248
where: short stacking energy: -150.116
Base-Backbone interact. energy: -0.961
local terms energy: -174.869170
where:
bonds (distance) C4'-P energy: -34.791
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -51.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -527.572325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.572325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.572325 (E_RNA)
where:
Base-Base interactions energy: -360.500
where: short stacking energy: -146.531
Base-Backbone interact. energy: -0.526
local terms energy: -166.546493
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -41.176
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: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -511.384427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.384427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.384427 (E_RNA)
where:
Base-Base interactions energy: -350.923
where: short stacking energy: -148.678
Base-Backbone interact. energy: -0.076
local terms energy: -160.385916
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -41.988
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: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -507.156350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.156350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.156350 (E_RNA)
where:
Base-Base interactions energy: -352.293
where: short stacking energy: -145.768
Base-Backbone interact. energy: 0.154
local terms energy: -155.017515
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -43.170
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: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -513.916765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.916765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.916765 (E_RNA)
where:
Base-Base interactions energy: -344.475
where: short stacking energy: -142.367
Base-Backbone interact. energy: -1.161
local terms energy: -168.280670
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -33.397
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -46.558
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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -446.861119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.861119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.861119 (E_RNA)
where:
Base-Base interactions energy: -289.796
where: short stacking energy: -140.396
Base-Backbone interact. energy: -0.110
local terms energy: -156.955055
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -43.245
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -426.404322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.404322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.404322 (E_RNA)
where:
Base-Base interactions energy: -269.045
where: short stacking energy: -117.096
Base-Backbone interact. energy: -1.981
local terms energy: -155.378669
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -33.027
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -38.312
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: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -175.717100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.717100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.717100 (E_RNA)
where:
Base-Base interactions energy: -65.477
where: short stacking energy: -34.107
Base-Backbone interact. energy: -0.183
local terms energy: -110.056495
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -7.108
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -159.792492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.792492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.792492 (E_RNA)
where:
Base-Base interactions energy: -51.649
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.249
local terms energy: -107.893687
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -176.001907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.001907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.001907 (E_RNA)
where:
Base-Base interactions energy: -72.512
where: short stacking energy: -63.444
Base-Backbone interact. energy: 1.559
local terms energy: -105.049323
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -15.560
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: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -561.065562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.065562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.065562 (E_RNA)
where:
Base-Base interactions energy: -387.574
where: short stacking energy: -163.565
Base-Backbone interact. energy: -0.086
local terms energy: -173.405397
where:
bonds (distance) C4'-P energy: -35.086
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -17.845
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: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -543.515317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.515317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.515317 (E_RNA)
where:
Base-Base interactions energy: -360.112
where: short stacking energy: -148.471
Base-Backbone interact. energy: -0.182
local terms energy: -183.221030
where:
bonds (distance) C4'-P energy: -36.102
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: -49.432
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: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -538.806803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.806803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.806803 (E_RNA)
where:
Base-Base interactions energy: -363.622
where: short stacking energy: -158.042
Base-Backbone interact. energy: -0.034
local terms energy: -175.150829
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: -46.995
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: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -512.674179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.674179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.674179 (E_RNA)
where:
Base-Base interactions energy: -357.985
where: short stacking energy: -147.526
Base-Backbone interact. energy: -0.938
local terms energy: -153.751919
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -41.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -490.859379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.859379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.859379 (E_RNA)
where:
Base-Base interactions energy: -336.416
where: short stacking energy: -126.752
Base-Backbone interact. energy: -0.135
local terms energy: -154.308737
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -43.405
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: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -419.038381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.038381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.038381 (E_RNA)
where:
Base-Base interactions energy: -280.117
where: short stacking energy: -125.314
Base-Backbone interact. energy: -0.235
local terms energy: -138.686400
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -31.280
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: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -415.010084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.010084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.010084 (E_RNA)
where:
Base-Base interactions energy: -281.178
where: short stacking energy: -114.442
Base-Backbone interact. energy: 1.428
local terms energy: -135.259735
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -28.759
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: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -173.686286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.686286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.686286 (E_RNA)
where:
Base-Base interactions energy: -73.209
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.522
local terms energy: -99.955361
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -12.547
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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -154.336532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.336532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.336532 (E_RNA)
where:
Base-Base interactions energy: -47.192
where: short stacking energy: -38.744
Base-Backbone interact. energy: -0.314
local terms energy: -106.830259
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -1.679
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: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -144.204219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.204219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.204219 (E_RNA)
where:
Base-Base interactions energy: -42.276
where: short stacking energy: -36.668
Base-Backbone interact. energy: -2.175
local terms energy: -99.752663
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -3.693
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: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -546.313071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.313071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.313071 (E_RNA)
where:
Base-Base interactions energy: -370.878
where: short stacking energy: -151.988
Base-Backbone interact. energy: -0.436
local terms energy: -174.999080
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -49.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -540.937101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.937101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.937101 (E_RNA)
where:
Base-Base interactions energy: -363.439
where: short stacking energy: -157.782
Base-Backbone interact. energy: -0.050
local terms energy: -177.448002
where:
bonds (distance) C4'-P energy: -36.175
bonds (distance) P-C4' energy: -33.441
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -48.139
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: 3, replica: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -516.946724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.946724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.946724 (E_RNA)
where:
Base-Base interactions energy: -351.801
where: short stacking energy: -141.937
Base-Backbone interact. energy: -0.304
local terms energy: -164.841476
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -46.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -476.848400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.848400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.848400 (E_RNA)
where:
Base-Base interactions energy: -308.535
where: short stacking energy: -128.834
Base-Backbone interact. energy: -0.519
local terms energy: -167.794557
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -36.175
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -43.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -495.901923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.901923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.901923 (E_RNA)
where:
Base-Base interactions energy: -342.491
where: short stacking energy: -140.588
Base-Backbone interact. energy: -0.296
local terms energy: -153.114695
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -39.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -459.748411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.748411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.748411 (E_RNA)
where:
Base-Base interactions energy: -295.559
where: short stacking energy: -139.755
Base-Backbone interact. energy: -0.256
local terms energy: -163.933039
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -51.275
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: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -409.740853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.740853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.740853 (E_RNA)
where:
Base-Base interactions energy: -278.269
where: short stacking energy: -118.955
Base-Backbone interact. energy: -0.133
local terms energy: -131.338307
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -174.709845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.709845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.709845 (E_RNA)
where:
Base-Base interactions energy: -78.804
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.542
local terms energy: -95.363267
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: 0.604
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: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -161.050393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.050393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.050393 (E_RNA)
where:
Base-Base interactions energy: -55.463
where: short stacking energy: -50.040
Base-Backbone interact. energy: 0.871
local terms energy: -106.458188
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -8.592
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: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -147.131699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.131699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.131699 (E_RNA)
where:
Base-Base interactions energy: -64.010
where: short stacking energy: -39.675
Base-Backbone interact. energy: 0.576
local terms energy: -83.697069
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: 4.603
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: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -558.798231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.798231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.798231 (E_RNA)
where:
Base-Base interactions energy: -370.085
where: short stacking energy: -169.213
Base-Backbone interact. energy: -0.255
local terms energy: -188.458341
where:
bonds (distance) C4'-P energy: -35.102
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -54.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -539.781497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.781497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.781497 (E_RNA)
where:
Base-Base interactions energy: -377.066
where: short stacking energy: -155.493
Base-Backbone interact. energy: -0.454
local terms energy: -162.261324
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -34.576
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -49.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -533.245822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.245822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.245822 (E_RNA)
where:
Base-Base interactions energy: -358.803
where: short stacking energy: -153.742
Base-Backbone interact. energy: -0.167
local terms energy: -174.275541
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -46.260
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: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -476.104903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.104903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.104903 (E_RNA)
where:
Base-Base interactions energy: -311.731
where: short stacking energy: -138.933
Base-Backbone interact. energy: 2.625
local terms energy: -166.998567
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -34.534
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -28.311
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -490.360440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.360440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.360440 (E_RNA)
where:
Base-Base interactions energy: -328.244
where: short stacking energy: -135.334
Base-Backbone interact. energy: -0.888
local terms energy: -161.228156
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -33.533
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -43.902
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: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -414.870256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.870256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.870256 (E_RNA)
where:
Base-Base interactions energy: -276.829
where: short stacking energy: -117.118
Base-Backbone interact. energy: 0.776
local terms energy: -138.817218
where:
bonds (distance) C4'-P energy: -33.660
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -31.266
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: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -420.655476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.655476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.655476 (E_RNA)
where:
Base-Base interactions energy: -272.410
where: short stacking energy: -114.069
Base-Backbone interact. energy: 0.145
local terms energy: -148.390009
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -37.725
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: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -166.169475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.169475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.169475 (E_RNA)
where:
Base-Base interactions energy: -59.900
where: short stacking energy: -47.646
Base-Backbone interact. energy: -0.178
local terms energy: -106.091635
where:
bonds (distance) C4'-P energy: -31.321
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -202.131413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.131413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.131413 (E_RNA)
where:
Base-Base interactions energy: -87.537
where: short stacking energy: -60.584
Base-Backbone interact. energy: 0.588
local terms energy: -115.182450
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -5.616
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: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -147.035810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.035810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.035810 (E_RNA)
where:
Base-Base interactions energy: -57.602
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.466
local terms energy: -88.967256
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -30.002
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: 2.214
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: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -547.954704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.954704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.954704 (E_RNA)
where:
Base-Base interactions energy: -370.920
where: short stacking energy: -161.859
Base-Backbone interact. energy: -0.885
local terms energy: -176.149817
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -52.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -542.528477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.528477 (E_RNA)
where:
Base-Base interactions energy: -367.953
where: short stacking energy: -159.310
Base-Backbone interact. energy: -0.373
local terms energy: -174.201894
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -50.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -528.001132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.001132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.001132 (E_RNA)
where:
Base-Base interactions energy: -362.439
where: short stacking energy: -155.161
Base-Backbone interact. energy: -0.432
local terms energy: -165.129598
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -52.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -506.505800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.505800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.505800 (E_RNA)
where:
Base-Base interactions energy: -333.234
where: short stacking energy: -137.170
Base-Backbone interact. energy: -1.211
local terms energy: -172.061015
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -29.254
tors. eta vs tors. theta energy: -44.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -512.405995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.405995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.405995 (E_RNA)
where:
Base-Base interactions energy: -355.006
where: short stacking energy: -136.312
Base-Backbone interact. energy: 0.772
local terms energy: -158.171641
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -41.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -436.576223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.576223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.576223 (E_RNA)
where:
Base-Base interactions energy: -287.247
where: short stacking energy: -125.232
Base-Backbone interact. energy: -0.305
local terms energy: -149.024261
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -20.605
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: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -394.728719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.728719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.728719 (E_RNA)
where:
Base-Base interactions energy: -261.502
where: short stacking energy: -135.629
Base-Backbone interact. energy: 0.236
local terms energy: -133.461832
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -34.854
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -228.028966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.028966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.028966 (E_RNA)
where:
Base-Base interactions energy: -124.936
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.555
local terms energy: -102.538810
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -6.107
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: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -156.178495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.178495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.178495 (E_RNA)
where:
Base-Base interactions energy: -59.861
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.685
local terms energy: -95.632090
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -136.591370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.591370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.591370 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -34.958
Base-Backbone interact. energy: -1.496
local terms energy: -95.308194
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: 6.001
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: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -542.544383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.544383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.544383 (E_RNA)
where:
Base-Base interactions energy: -375.835
where: short stacking energy: -170.927
Base-Backbone interact. energy: 0.011
local terms energy: -166.720023
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -52.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -533.655962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.655962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.655962 (E_RNA)
where:
Base-Base interactions energy: -361.113
where: short stacking energy: -155.470
Base-Backbone interact. energy: -0.862
local terms energy: -171.681438
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -45.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -525.613917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.613917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.613917 (E_RNA)
where:
Base-Base interactions energy: -362.795
where: short stacking energy: -156.733
Base-Backbone interact. energy: -1.034
local terms energy: -161.784897
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -48.912
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: 432
Temperature: 1.050000
Total energy: -519.304904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.304904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.304904 (E_RNA)
where:
Base-Base interactions energy: -357.606
where: short stacking energy: -156.786
Base-Backbone interact. energy: -0.228
local terms energy: -161.470768
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -52.148
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -451.086838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.086838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.086838 (E_RNA)
where:
Base-Base interactions energy: -307.116
where: short stacking energy: -134.766
Base-Backbone interact. energy: -0.682
local terms energy: -143.288788
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -41.079
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: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -495.102876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.102876 (E_RNA)
where:
Base-Base interactions energy: -341.677
where: short stacking energy: -139.054
Base-Backbone interact. energy: 2.016
local terms energy: -155.441537
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -40.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -370.209227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.209227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.209227 (E_RNA)
where:
Base-Base interactions energy: -227.350
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.375
local terms energy: -142.483679
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -22.153
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: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -246.658313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.658313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.658313 (E_RNA)
where:
Base-Base interactions energy: -120.878
where: short stacking energy: -58.279
Base-Backbone interact. energy: -0.138
local terms energy: -125.642425
where:
bonds (distance) C4'-P energy: -35.727
bonds (distance) P-C4' energy: -31.613
flat angles C4'-P-C4' energy: -29.967
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -17.608
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: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -156.858814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.858814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.858814 (E_RNA)
where:
Base-Base interactions energy: -49.061
where: short stacking energy: -39.161
Base-Backbone interact. energy: -1.495
local terms energy: -106.303298
where:
bonds (distance) C4'-P energy: -25.903
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -136.665352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.665352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.665352 (E_RNA)
where:
Base-Base interactions energy: -54.916
where: short stacking energy: -31.789
Base-Backbone interact. energy: 0.621
local terms energy: -82.370440
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: 12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -552.240295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.240295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.240295 (E_RNA)
where:
Base-Base interactions energy: -370.413
where: short stacking energy: -161.605
Base-Backbone interact. energy: -0.814
local terms energy: -181.013868
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -51.108
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: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -518.185145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.185145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.185145 (E_RNA)
where:
Base-Base interactions energy: -346.398
where: short stacking energy: -153.515
Base-Backbone interact. energy: 0.030
local terms energy: -171.817628
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -31.675
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -48.292
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: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -536.183140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.183140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.183140 (E_RNA)
where:
Base-Base interactions energy: -373.577
where: short stacking energy: -155.726
Base-Backbone interact. energy: -1.141
local terms energy: -161.464527
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -50.157
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: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -508.292918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.292918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.292918 (E_RNA)
where:
Base-Base interactions energy: -350.560
where: short stacking energy: -135.905
Base-Backbone interact. energy: -0.983
local terms energy: -156.749969
where:
bonds (distance) C4'-P energy: -28.203
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -46.219
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: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -447.772298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.772298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.772298 (E_RNA)
where:
Base-Base interactions energy: -302.485
where: short stacking energy: -125.623
Base-Backbone interact. energy: -0.200
local terms energy: -145.087456
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -35.002
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: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -489.235948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.235948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.235948 (E_RNA)
where:
Base-Base interactions energy: -325.967
where: short stacking energy: -141.758
Base-Backbone interact. energy: -0.796
local terms energy: -162.472855
where:
bonds (distance) C4'-P energy: -33.264
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -46.790
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: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -395.518471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.518471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.518471 (E_RNA)
where:
Base-Base interactions energy: -264.764
where: short stacking energy: -127.060
Base-Backbone interact. energy: -0.382
local terms energy: -130.372564
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -34.237
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: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -253.983521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.983521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.983521 (E_RNA)
where:
Base-Base interactions energy: -147.341
where: short stacking energy: -85.627
Base-Backbone interact. energy: -0.767
local terms energy: -105.874989
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -13.604
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: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -146.483793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.483793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.483793 (E_RNA)
where:
Base-Base interactions energy: -58.175
where: short stacking energy: -35.814
Base-Backbone interact. energy: -0.265
local terms energy: -88.044498
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -6.449
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: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -153.681099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.681099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.681099 (E_RNA)
where:
Base-Base interactions energy: -62.584
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.211
local terms energy: -90.886415
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -0.337
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: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -554.463782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.463782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.463782 (E_RNA)
where:
Base-Base interactions energy: -379.400
where: short stacking energy: -153.203
Base-Backbone interact. energy: -0.326
local terms energy: -174.737615
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -49.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -540.566035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.566035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.566035 (E_RNA)
where:
Base-Base interactions energy: -360.490
where: short stacking energy: -154.995
Base-Backbone interact. energy: -0.180
local terms energy: -179.895969
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -51.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -522.960716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.960716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.960716 (E_RNA)
where:
Base-Base interactions energy: -351.765
where: short stacking energy: -158.645
Base-Backbone interact. energy: -0.399
local terms energy: -170.796225
where:
bonds (distance) C4'-P energy: -30.348
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -51.306
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: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -514.548116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.548116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.548116 (E_RNA)
where:
Base-Base interactions energy: -357.702
where: short stacking energy: -154.959
Base-Backbone interact. energy: -0.022
local terms energy: -156.824064
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -43.480
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: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -479.951021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.951021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.951021 (E_RNA)
where:
Base-Base interactions energy: -322.397
where: short stacking energy: -135.822
Base-Backbone interact. energy: -0.434
local terms energy: -157.120046
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -43.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -453.491429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.491429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.491429 (E_RNA)
where:
Base-Base interactions energy: -314.306
where: short stacking energy: -120.510
Base-Backbone interact. energy: 0.479
local terms energy: -139.664464
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -36.670
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: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -381.811911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.811911 (E_RNA)
where:
Base-Base interactions energy: -246.689
where: short stacking energy: -113.550
Base-Backbone interact. energy: -0.102
local terms energy: -135.021384
where:
bonds (distance) C4'-P energy: -31.438
bonds (distance) P-C4' energy: -29.737
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -35.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -236.049097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.049097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.049097 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.113
local terms energy: -111.484771
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: 1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -145.211525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.211525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.211525 (E_RNA)
where:
Base-Base interactions energy: -45.584
where: short stacking energy: -43.724
Base-Backbone interact. energy: -0.406
local terms energy: -99.221598
where:
bonds (distance) C4'-P energy: -30.103
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -188.717519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.717519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.717519 (E_RNA)
where:
Base-Base interactions energy: -95.401
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.599
local terms energy: -92.717320
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -4.914
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: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -556.628953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.628953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.628953 (E_RNA)
where:
Base-Base interactions energy: -377.263
where: short stacking energy: -162.471
Base-Backbone interact. energy: -1.048
local terms energy: -178.318864
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: -48.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -543.138363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.138363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.138363 (E_RNA)
where:
Base-Base interactions energy: -362.125
where: short stacking energy: -161.818
Base-Backbone interact. energy: -0.174
local terms energy: -180.839495
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -30.792
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -31.699
tors. eta vs tors. theta energy: -50.747
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: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -538.321263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.321263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.321263 (E_RNA)
where:
Base-Base interactions energy: -368.582
where: short stacking energy: -154.892
Base-Backbone interact. energy: -0.170
local terms energy: -169.569519
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -33.212
flat angles P-C4'-P energy: -28.998
tors. eta vs tors. theta energy: -48.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -519.771543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.771543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.771543 (E_RNA)
where:
Base-Base interactions energy: -354.866
where: short stacking energy: -144.242
Base-Backbone interact. energy: -0.160
local terms energy: -164.745695
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -32.700
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -46.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -508.946675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.946675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.946675 (E_RNA)
where:
Base-Base interactions energy: -353.336
where: short stacking energy: -146.744
Base-Backbone interact. energy: -1.573
local terms energy: -154.038245
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -45.401
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: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -455.159504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.159504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.159504 (E_RNA)
where:
Base-Base interactions energy: -303.315
where: short stacking energy: -129.871
Base-Backbone interact. energy: 0.165
local terms energy: -152.010239
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -32.924
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -40.771
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: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -377.993490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.993490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.993490 (E_RNA)
where:
Base-Base interactions energy: -236.965
where: short stacking energy: -114.310
Base-Backbone interact. energy: 1.563
local terms energy: -142.591422
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -35.726
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: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -174.032425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.032425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.032425 (E_RNA)
where:
Base-Base interactions energy: -60.507
where: short stacking energy: -45.422
Base-Backbone interact. energy: -0.301
local terms energy: -113.223951
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: 1.581
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: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -137.510405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.510405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.510405 (E_RNA)
where:
Base-Base interactions energy: -52.130
where: short stacking energy: -42.643
Base-Backbone interact. energy: 0.565
local terms energy: -85.945276
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -5.252
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: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -140.995935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.995935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.995935 (E_RNA)
where:
Base-Base interactions energy: -51.604
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.805
local terms energy: -88.586444
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -3.114
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: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -549.444149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.444149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.444149 (E_RNA)
where:
Base-Base interactions energy: -377.108
where: short stacking energy: -150.311
Base-Backbone interact. energy: -0.675
local terms energy: -171.660590
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -48.414
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: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -538.860363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.860363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.860363 (E_RNA)
where:
Base-Base interactions energy: -359.741
where: short stacking energy: -153.183
Base-Backbone interact. energy: -0.214
local terms energy: -178.905790
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -28.257
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -525.924588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.924588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.924588 (E_RNA)
where:
Base-Base interactions energy: -361.351
where: short stacking energy: -151.678
Base-Backbone interact. energy: -0.148
local terms energy: -164.426275
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -32.533
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -46.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -511.731821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.731821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.731821 (E_RNA)
where:
Base-Base interactions energy: -354.060
where: short stacking energy: -150.148
Base-Backbone interact. energy: -0.346
local terms energy: -157.325355
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -42.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -519.314904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.314904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.314904 (E_RNA)
where:
Base-Base interactions energy: -357.920
where: short stacking energy: -148.208
Base-Backbone interact. energy: -0.265
local terms energy: -161.130090
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -23.153
tors. eta vs tors. theta energy: -44.180
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: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -461.437470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.437470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.437470 (E_RNA)
where:
Base-Base interactions energy: -311.204
where: short stacking energy: -132.130
Base-Backbone interact. energy: 0.688
local terms energy: -150.921529
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -37.498
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -365.012933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.012933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.012933 (E_RNA)
where:
Base-Base interactions energy: -235.270
where: short stacking energy: -113.167
Base-Backbone interact. energy: 0.411
local terms energy: -130.153953
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -161.198772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.198772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.198772 (E_RNA)
where:
Base-Base interactions energy: -61.406
where: short stacking energy: -44.344
Base-Backbone interact. energy: -0.362
local terms energy: -99.430864
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -30.533
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -4.250
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: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -154.815798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.815798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.815798 (E_RNA)
where:
Base-Base interactions energy: -56.238
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.478
local terms energy: -98.099958
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: 2.569
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: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -154.137992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.137992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.137992 (E_RNA)
where:
Base-Base interactions energy: -55.042
where: short stacking energy: -30.100
Base-Backbone interact. energy: 1.094
local terms energy: -100.190159
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -33.796
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: 2.305
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: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -548.945129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.945129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.945129 (E_RNA)
where:
Base-Base interactions energy: -373.947
where: short stacking energy: -162.378
Base-Backbone interact. energy: -0.434
local terms energy: -174.563721
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -50.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -544.427989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.427989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.427989 (E_RNA)
where:
Base-Base interactions energy: -378.136
where: short stacking energy: -158.476
Base-Backbone interact. energy: -0.127
local terms energy: -166.165133
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -46.349
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: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -520.906345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.906345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.906345 (E_RNA)
where:
Base-Base interactions energy: -363.508
where: short stacking energy: -152.237
Base-Backbone interact. energy: 1.394
local terms energy: -158.792621
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -47.120
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: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -507.631481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.631481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.631481 (E_RNA)
where:
Base-Base interactions energy: -357.355
where: short stacking energy: -148.033
Base-Backbone interact. energy: -0.429
local terms energy: -149.847637
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -46.600
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: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -507.643085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.643085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.643085 (E_RNA)
where:
Base-Base interactions energy: -354.870
where: short stacking energy: -139.567
Base-Backbone interact. energy: -0.046
local terms energy: -152.726860
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -45.463
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: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -392.906962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.906962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.906962 (E_RNA)
where:
Base-Base interactions energy: -247.371
where: short stacking energy: -114.518
Base-Backbone interact. energy: -0.050
local terms energy: -145.485128
where:
bonds (distance) C4'-P energy: -29.462
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -32.836
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: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -430.281186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.281186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.281186 (E_RNA)
where:
Base-Base interactions energy: -294.048
where: short stacking energy: -118.015
Base-Backbone interact. energy: 0.143
local terms energy: -136.376642
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -34.724
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -32.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -167.425093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.425093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.425093 (E_RNA)
where:
Base-Base interactions energy: -67.811
where: short stacking energy: -62.533
Base-Backbone interact. energy: -0.213
local terms energy: -99.401633
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -13.492
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: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -172.792505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.792505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.792505 (E_RNA)
where:
Base-Base interactions energy: -73.993
where: short stacking energy: -50.876
Base-Backbone interact. energy: -0.582
local terms energy: -98.218331
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -27.088
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -141.282572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.282572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.282572 (E_RNA)
where:
Base-Base interactions energy: -50.733
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.365
local terms energy: -90.184227
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -31.662
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: 0.236
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -547.047217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.047217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.047217 (E_RNA)
where:
Base-Base interactions energy: -365.899
where: short stacking energy: -156.749
Base-Backbone interact. energy: -0.490
local terms energy: -180.657402
where:
bonds (distance) C4'-P energy: -33.541
bonds (distance) P-C4' energy: -35.255
flat angles C4'-P-C4' energy: -39.162
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -49.269
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -531.051869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.051869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.051869 (E_RNA)
where:
Base-Base interactions energy: -376.151
where: short stacking energy: -148.052
Base-Backbone interact. energy: -0.222
local terms energy: -154.679074
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -42.416
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: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -523.944795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.944795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.944795 (E_RNA)
where:
Base-Base interactions energy: -352.293
where: short stacking energy: -151.144
Base-Backbone interact. energy: -0.950
local terms energy: -170.701602
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -45.560
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: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -511.965888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.965888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.965888 (E_RNA)
where:
Base-Base interactions energy: -353.721
where: short stacking energy: -151.335
Base-Backbone interact. energy: -0.043
local terms energy: -158.201894
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -45.308
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: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -499.346527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.346527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.346527 (E_RNA)
where:
Base-Base interactions energy: -341.115
where: short stacking energy: -145.434
Base-Backbone interact. energy: -0.197
local terms energy: -158.035192
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -38.171
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: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -429.864608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.864608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.864608 (E_RNA)
where:
Base-Base interactions energy: -274.263
where: short stacking energy: -117.725
Base-Backbone interact. energy: 1.044
local terms energy: -156.646012
where:
bonds (distance) C4'-P energy: -37.647
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -34.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -406.793594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.793594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.793594 (E_RNA)
where:
Base-Base interactions energy: -270.481
where: short stacking energy: -112.333
Base-Backbone interact. energy: -2.844
local terms energy: -133.468277
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -30.718
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: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -176.605515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.605515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.605515 (E_RNA)
where:
Base-Base interactions energy: -70.205
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.511
local terms energy: -105.889832
where:
bonds (distance) C4'-P energy: -30.816
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -5.219
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: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -168.004409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.004409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.004409 (E_RNA)
where:
Base-Base interactions energy: -72.639
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.216
local terms energy: -95.149168
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: 3.734
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: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -143.127767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.127767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.127767 (E_RNA)
where:
Base-Base interactions energy: -53.960
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.373
local terms energy: -88.794897
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: 5.852
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: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -552.272552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.272552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.272552 (E_RNA)
where:
Base-Base interactions energy: -378.376
where: short stacking energy: -160.609
Base-Backbone interact. energy: 1.401
local terms energy: -175.296620
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -36.547
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -45.404
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: 439
Temperature: 0.950000
Total energy: -536.034106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.034106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.034106 (E_RNA)
where:
Base-Base interactions energy: -366.631
where: short stacking energy: -147.951
Base-Backbone interact. energy: -0.651
local terms energy: -168.752233
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -42.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -516.555678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.555678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.555678 (E_RNA)
where:
Base-Base interactions energy: -354.939
where: short stacking energy: -144.002
Base-Backbone interact. energy: -0.713
local terms energy: -160.903091
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -43.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -505.506633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.506633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.506633 (E_RNA)
where:
Base-Base interactions energy: -341.334
where: short stacking energy: -141.510
Base-Backbone interact. energy: -0.334
local terms energy: -163.838085
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -30.388
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -42.961
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: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -506.932457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.932457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.932457 (E_RNA)
where:
Base-Base interactions energy: -348.908
where: short stacking energy: -158.360
Base-Backbone interact. energy: -0.052
local terms energy: -157.971769
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -47.739
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: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -478.314082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.314082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.314082 (E_RNA)
where:
Base-Base interactions energy: -327.989
where: short stacking energy: -134.660
Base-Backbone interact. energy: -0.072
local terms energy: -150.253055
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -36.307
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: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -389.397709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.397709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.397709 (E_RNA)
where:
Base-Base interactions energy: -257.607
where: short stacking energy: -111.701
Base-Backbone interact. energy: -1.654
local terms energy: -130.137316
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -14.728
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: 439
Temperature: 1.250000
Total energy: -160.279372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.279372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.279372 (E_RNA)
where:
Base-Base interactions energy: -50.235
where: short stacking energy: -39.720
Base-Backbone interact. energy: -1.236
local terms energy: -108.808780
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -7.045
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: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -164.406235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.406235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.406235 (E_RNA)
where:
Base-Base interactions energy: -51.322
where: short stacking energy: -50.073
Base-Backbone interact. energy: -0.239
local terms energy: -112.845562
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -154.177767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.177767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.177767 (E_RNA)
where:
Base-Base interactions energy: -45.821
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.359
local terms energy: -107.997364
where:
bonds (distance) C4'-P energy: -29.963
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -0.343
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: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -559.040620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.040620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.040620 (E_RNA)
where:
Base-Base interactions energy: -380.976
where: short stacking energy: -166.189
Base-Backbone interact. energy: 2.606
local terms energy: -180.670066
where:
bonds (distance) C4'-P energy: -33.031
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -48.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -537.329997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.329997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.329997 (E_RNA)
where:
Base-Base interactions energy: -369.544
where: short stacking energy: -155.232
Base-Backbone interact. energy: 0.807
local terms energy: -168.593477
where:
bonds (distance) C4'-P energy: -25.263
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -41.255
flat angles P-C4'-P energy: -26.854
tors. eta vs tors. theta energy: -45.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -516.748024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.748024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.748024 (E_RNA)
where:
Base-Base interactions energy: -345.491
where: short stacking energy: -147.625
Base-Backbone interact. energy: -0.022
local terms energy: -171.234921
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -47.660
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: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -516.893152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.893152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.893152 (E_RNA)
where:
Base-Base interactions energy: -352.763
where: short stacking energy: -139.291
Base-Backbone interact. energy: -0.558
local terms energy: -163.572167
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -45.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -506.165611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.165611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.165611 (E_RNA)
where:
Base-Base interactions energy: -351.212
where: short stacking energy: -150.330
Base-Backbone interact. energy: -0.208
local terms energy: -154.746461
where:
bonds (distance) C4'-P energy: -32.384
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -44.145
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: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -464.270471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.270471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.270471 (E_RNA)
where:
Base-Base interactions energy: -315.613
where: short stacking energy: -134.277
Base-Backbone interact. energy: 0.600
local terms energy: -149.257826
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -42.058
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: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -372.308168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.308168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.308168 (E_RNA)
where:
Base-Base interactions energy: -251.138
where: short stacking energy: -114.547
Base-Backbone interact. energy: -0.511
local terms energy: -120.659558
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -34.981
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: 440
Temperature: 1.250000
Total energy: -160.817487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.817487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.817487 (E_RNA)
where:
Base-Base interactions energy: -49.893
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.422
local terms energy: -110.502131
where:
bonds (distance) C4'-P energy: -33.498
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -155.023817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.023817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.023817 (E_RNA)
where:
Base-Base interactions energy: -60.249
where: short stacking energy: -48.891
Base-Backbone interact. energy: -0.986
local terms energy: -93.789171
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: 6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -152.227806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.227806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.227806 (E_RNA)
where:
Base-Base interactions energy: -67.198
where: short stacking energy: -29.505
Base-Backbone interact. energy: -2.376
local terms energy: -82.652937
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: 6.754
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: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -559.075122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.075122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.075122 (E_RNA)
where:
Base-Base interactions energy: -389.038
where: short stacking energy: -159.658
Base-Backbone interact. energy: -0.032
local terms energy: -170.004948
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -45.084
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: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -534.079949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.079949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.079949 (E_RNA)
where:
Base-Base interactions energy: -359.852
where: short stacking energy: -155.808
Base-Backbone interact. energy: -0.620
local terms energy: -173.608519
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -33.488
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -46.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -530.465161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.465161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.465161 (E_RNA)
where:
Base-Base interactions energy: -357.214
where: short stacking energy: -155.224
Base-Backbone interact. energy: -0.465
local terms energy: -172.785760
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -49.529
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: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -527.887874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.887874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.887874 (E_RNA)
where:
Base-Base interactions energy: -357.672
where: short stacking energy: -149.579
Base-Backbone interact. energy: -0.473
local terms energy: -169.742548
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -34.703
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -46.961
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: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -515.361410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.361410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.361410 (E_RNA)
where:
Base-Base interactions energy: -357.415
where: short stacking energy: -144.299
Base-Backbone interact. energy: -0.080
local terms energy: -157.866604
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -44.602
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: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -483.016335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.016335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.016335 (E_RNA)
where:
Base-Base interactions energy: -321.247
where: short stacking energy: -133.217
Base-Backbone interact. energy: -0.554
local terms energy: -161.214743
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -37.565
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -40.474
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: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -377.834676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.834676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.834676 (E_RNA)
where:
Base-Base interactions energy: -239.325
where: short stacking energy: -101.027
Base-Backbone interact. energy: -1.279
local terms energy: -137.230950
where:
bonds (distance) C4'-P energy: -23.024
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -35.956
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -31.245
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: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -168.512877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.512877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.512877 (E_RNA)
where:
Base-Base interactions energy: -58.057
where: short stacking energy: -51.405
Base-Backbone interact. energy: -0.446
local terms energy: -110.009543
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -159.915524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.915524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.915524 (E_RNA)
where:
Base-Base interactions energy: -66.256
where: short stacking energy: -55.088
Base-Backbone interact. energy: 2.467
local terms energy: -96.125850
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -2.599
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: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -147.725102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.725102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.725102 (E_RNA)
where:
Base-Base interactions energy: -61.382
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.224
local terms energy: -86.119548
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -24.665
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -563.335537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.335537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.335537 (E_RNA)
where:
Base-Base interactions energy: -386.646
where: short stacking energy: -161.203
Base-Backbone interact. energy: -0.229
local terms energy: -176.460214
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -35.339
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -47.751
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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -531.121598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.121598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.121598 (E_RNA)
where:
Base-Base interactions energy: -366.582
where: short stacking energy: -159.138
Base-Backbone interact. energy: 1.900
local terms energy: -166.439859
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -29.805
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -46.291
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: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -528.090366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.090366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.090366 (E_RNA)
where:
Base-Base interactions energy: -362.347
where: short stacking energy: -146.594
Base-Backbone interact. energy: -0.018
local terms energy: -165.725737
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -47.678
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: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -518.371060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.371060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.371060 (E_RNA)
where:
Base-Base interactions energy: -343.375
where: short stacking energy: -156.671
Base-Backbone interact. energy: -0.072
local terms energy: -174.923509
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -50.108
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: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -493.678631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.678631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.678631 (E_RNA)
where:
Base-Base interactions energy: -335.156
where: short stacking energy: -134.872
Base-Backbone interact. energy: 1.520
local terms energy: -160.041801
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -46.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -472.718659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.718659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.718659 (E_RNA)
where:
Base-Base interactions energy: -317.465
where: short stacking energy: -132.768
Base-Backbone interact. energy: -0.011
local terms energy: -155.242119
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -40.977
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: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -369.695825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.695825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.695825 (E_RNA)
where:
Base-Base interactions energy: -234.232
where: short stacking energy: -114.848
Base-Backbone interact. energy: -0.121
local terms energy: -135.342516
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -36.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -174.678311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.678311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.678311 (E_RNA)
where:
Base-Base interactions energy: -59.109
where: short stacking energy: -49.827
Base-Backbone interact. energy: -0.192
local terms energy: -115.377535
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -10.425
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -176.483213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.483213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.483213 (E_RNA)
where:
Base-Base interactions energy: -64.215
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.389
local terms energy: -111.879541
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -17.322
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: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -142.740187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.740187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.740187 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -36.815
Base-Backbone interact. energy: 2.124
local terms energy: -101.558056
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: 2.486
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: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -560.922902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.922902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.922902 (E_RNA)
where:
Base-Base interactions energy: -390.891
where: short stacking energy: -164.931
Base-Backbone interact. energy: -0.080
local terms energy: -169.951945
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -38.683
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -50.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -539.318379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.318379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.318379 (E_RNA)
where:
Base-Base interactions energy: -375.671
where: short stacking energy: -153.876
Base-Backbone interact. energy: -0.287
local terms energy: -163.360907
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -42.652
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: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -517.992003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.992003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.992003 (E_RNA)
where:
Base-Base interactions energy: -352.425
where: short stacking energy: -140.698
Base-Backbone interact. energy: 0.651
local terms energy: -166.218012
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -45.535
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: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -515.725212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.725212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.725212 (E_RNA)
where:
Base-Base interactions energy: -352.062
where: short stacking energy: -143.760
Base-Backbone interact. energy: -2.291
local terms energy: -161.372363
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -36.570
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -47.817
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: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -507.343602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.343602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.343602 (E_RNA)
where:
Base-Base interactions energy: -342.578
where: short stacking energy: -153.868
Base-Backbone interact. energy: -0.124
local terms energy: -164.641041
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -27.939
tors. eta vs tors. theta energy: -50.173
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: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -452.689366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.689366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.689366 (E_RNA)
where:
Base-Base interactions energy: -309.399
where: short stacking energy: -117.539
Base-Backbone interact. energy: -0.347
local terms energy: -142.943164
where:
bonds (distance) C4'-P energy: -32.104
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -34.813
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: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -344.363484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.363484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.363484 (E_RNA)
where:
Base-Base interactions energy: -208.867
where: short stacking energy: -85.065
Base-Backbone interact. energy: -0.583
local terms energy: -134.914343
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -19.773
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: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -160.797959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.797959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.797959 (E_RNA)
where:
Base-Base interactions energy: -55.417
where: short stacking energy: -40.802
Base-Backbone interact. energy: -0.390
local terms energy: -104.990072
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -3.497
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: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -142.511559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.511559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.511559 (E_RNA)
where:
Base-Base interactions energy: -60.487
where: short stacking energy: -32.377
Base-Backbone interact. energy: -0.222
local terms energy: -81.802659
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: 4.872
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: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -172.068010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.068010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.068010 (E_RNA)
where:
Base-Base interactions energy: -59.097
where: short stacking energy: -53.856
Base-Backbone interact. energy: -0.561
local terms energy: -112.410045
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -15.584
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: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -554.298833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.298833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.298833 (E_RNA)
where:
Base-Base interactions energy: -369.826
where: short stacking energy: -167.389
Base-Backbone interact. energy: 0.167
local terms energy: -184.639565
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -35.511
flat angles C4'-P-C4' energy: -42.573
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -53.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -534.444570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.444570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.444570 (E_RNA)
where:
Base-Base interactions energy: -364.118
where: short stacking energy: -150.338
Base-Backbone interact. energy: 0.954
local terms energy: -171.280791
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -31.648
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: -42.995
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: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -515.471364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.471364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.471364 (E_RNA)
where:
Base-Base interactions energy: -353.570
where: short stacking energy: -147.638
Base-Backbone interact. energy: -0.438
local terms energy: -161.463742
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -46.998
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: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -499.532097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.532097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.532097 (E_RNA)
where:
Base-Base interactions energy: -338.004
where: short stacking energy: -138.486
Base-Backbone interact. energy: 0.140
local terms energy: -161.667838
where:
bonds (distance) C4'-P energy: -34.746
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -37.429
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -41.305
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -497.466349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.466349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.466349 (E_RNA)
where:
Base-Base interactions energy: -341.594
where: short stacking energy: -144.162
Base-Backbone interact. energy: 0.151
local terms energy: -156.023021
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -38.478
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -41.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -471.703766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.703766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.703766 (E_RNA)
where:
Base-Base interactions energy: -328.626
where: short stacking energy: -126.709
Base-Backbone interact. energy: -1.899
local terms energy: -141.178712
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -34.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -395.623488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.623488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.623488 (E_RNA)
where:
Base-Base interactions energy: -255.348
where: short stacking energy: -116.396
Base-Backbone interact. energy: -0.320
local terms energy: -139.955222
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -28.265
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: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -175.178002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.178002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.178002 (E_RNA)
where:
Base-Base interactions energy: -69.148
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.679
local terms energy: -105.351065
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -30.702
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -0.442
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: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -150.567705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.567705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.567705 (E_RNA)
where:
Base-Base interactions energy: -41.906
where: short stacking energy: -37.818
Base-Backbone interact. energy: 4.887
local terms energy: -113.549496
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -28.487
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: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -156.659354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.659354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.659354 (E_RNA)
where:
Base-Base interactions energy: -62.966
where: short stacking energy: -49.299
Base-Backbone interact. energy: 2.702
local terms energy: -96.395997
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: 4.301
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: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -553.234282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.234282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.234282 (E_RNA)
where:
Base-Base interactions energy: -376.253
where: short stacking energy: -173.936
Base-Backbone interact. energy: -0.224
local terms energy: -176.757647
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -37.388
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -51.274
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: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -529.795247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.795247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.795247 (E_RNA)
where:
Base-Base interactions energy: -353.990
where: short stacking energy: -147.025
Base-Backbone interact. energy: -1.482
local terms energy: -174.322764
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -47.066
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: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -526.389873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.389873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.389873 (E_RNA)
where:
Base-Base interactions energy: -357.230
where: short stacking energy: -161.564
Base-Backbone interact. energy: -0.010
local terms energy: -169.149879
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -45.308
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -510.745879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.745879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.745879 (E_RNA)
where:
Base-Base interactions energy: -349.679
where: short stacking energy: -147.742
Base-Backbone interact. energy: -0.824
local terms energy: -160.242084
where:
bonds (distance) C4'-P energy: -30.475
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -45.312
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: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -490.322804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.322804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.322804 (E_RNA)
where:
Base-Base interactions energy: -316.369
where: short stacking energy: -136.703
Base-Backbone interact. energy: -0.213
local terms energy: -173.740992
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -33.672
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -47.090
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: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -466.084350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.084350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.084350 (E_RNA)
where:
Base-Base interactions energy: -316.099
where: short stacking energy: -128.244
Base-Backbone interact. energy: 0.247
local terms energy: -150.232680
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -36.951
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: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -410.375453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.375453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.375453 (E_RNA)
where:
Base-Base interactions energy: -259.259
where: short stacking energy: -111.203
Base-Backbone interact. energy: -0.320
local terms energy: -150.796615
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -34.128
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -178.539791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.539791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.539791 (E_RNA)
where:
Base-Base interactions energy: -75.167
where: short stacking energy: -34.772
Base-Backbone interact. energy: -1.744
local terms energy: -101.629023
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: 10.025
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: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -174.786839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.786839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.786839 (E_RNA)
where:
Base-Base interactions energy: -64.953
where: short stacking energy: -64.854
Base-Backbone interact. energy: 0.205
local terms energy: -110.038440
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -16.254
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: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -159.860070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.860070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.860070 (E_RNA)
where:
Base-Base interactions energy: -69.227
where: short stacking energy: -66.512
Base-Backbone interact. energy: -1.382
local terms energy: -89.251034
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -5.559
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -538.464440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.464440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.464440 (E_RNA)
where:
Base-Base interactions energy: -366.874
where: short stacking energy: -160.239
Base-Backbone interact. energy: -0.076
local terms energy: -171.514429
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -43.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -525.783803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.783803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.783803 (E_RNA)
where:
Base-Base interactions energy: -351.341
where: short stacking energy: -155.265
Base-Backbone interact. energy: -0.544
local terms energy: -173.898099
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -54.401
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -528.936824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.936824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.936824 (E_RNA)
where:
Base-Base interactions energy: -355.564
where: short stacking energy: -154.253
Base-Backbone interact. energy: -0.214
local terms energy: -173.158847
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -50.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -515.374204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.374204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.374204 (E_RNA)
where:
Base-Base interactions energy: -342.193
where: short stacking energy: -147.255
Base-Backbone interact. energy: -0.138
local terms energy: -173.042790
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -38.309
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -41.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -502.223854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.223854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.223854 (E_RNA)
where:
Base-Base interactions energy: -340.109
where: short stacking energy: -143.787
Base-Backbone interact. energy: -0.878
local terms energy: -161.237161
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -46.310
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: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -453.405527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.405527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.405527 (E_RNA)
where:
Base-Base interactions energy: -303.725
where: short stacking energy: -134.034
Base-Backbone interact. energy: 0.067
local terms energy: -149.747522
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -30.181
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -43.213
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: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -387.987899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.987899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.987899 (E_RNA)
where:
Base-Base interactions energy: -254.532
where: short stacking energy: -117.057
Base-Backbone interact. energy: -1.309
local terms energy: -132.147118
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -22.952
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: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -169.086969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.086969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.086969 (E_RNA)
where:
Base-Base interactions energy: -66.434
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.616
local terms energy: -102.037435
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -8.007
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: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -158.971429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.971429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.971429 (E_RNA)
where:
Base-Base interactions energy: -66.482
where: short stacking energy: -35.347
Base-Backbone interact. energy: 2.125
local terms energy: -94.614768
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: 1.963
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: 10, replica: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -163.547223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.547223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.547223 (E_RNA)
where:
Base-Base interactions energy: -85.263
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.648
local terms energy: -77.636327
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: 0.794
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -557.541750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.541750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.541750 (E_RNA)
where:
Base-Base interactions energy: -379.946
where: short stacking energy: -168.469
Base-Backbone interact. energy: 0.185
local terms energy: -177.781520
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -29.862
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: -53.302
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: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -535.922539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.922539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.922539 (E_RNA)
where:
Base-Base interactions energy: -364.539
where: short stacking energy: -158.484
Base-Backbone interact. energy: -0.494
local terms energy: -170.889640
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -45.852
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: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -522.448920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.448920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.448920 (E_RNA)
where:
Base-Base interactions energy: -353.130
where: short stacking energy: -159.999
Base-Backbone interact. energy: -0.127
local terms energy: -169.192548
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -49.986
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: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -517.586570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.586570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.586570 (E_RNA)
where:
Base-Base interactions energy: -347.643
where: short stacking energy: -155.522
Base-Backbone interact. energy: -0.260
local terms energy: -169.683628
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -50.815
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: 447
Temperature: 1.100000
Total energy: -497.002585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.002585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.002585 (E_RNA)
where:
Base-Base interactions energy: -345.126
where: short stacking energy: -154.749
Base-Backbone interact. energy: 0.195
local terms energy: -152.071439
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -47.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -460.323035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.323035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.323035 (E_RNA)
where:
Base-Base interactions energy: -315.121
where: short stacking energy: -117.828
Base-Backbone interact. energy: -0.333
local terms energy: -144.868979
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -32.819
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: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -377.436317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.436317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.436317 (E_RNA)
where:
Base-Base interactions energy: -243.129
where: short stacking energy: -111.013
Base-Backbone interact. energy: -0.612
local terms energy: -133.695110
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -22.977
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -189.762040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.762040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.762040 (E_RNA)
where:
Base-Base interactions energy: -79.837
where: short stacking energy: -54.572
Base-Backbone interact. energy: 0.020
local terms energy: -109.944472
where:
bonds (distance) C4'-P energy: -27.398
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -5.764
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: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -150.205262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.205262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.205262 (E_RNA)
where:
Base-Base interactions energy: -54.880
where: short stacking energy: -41.099
Base-Backbone interact. energy: -1.083
local terms energy: -94.241986
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -22.153
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: 0.113
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: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -156.645389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.645389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.645389 (E_RNA)
where:
Base-Base interactions energy: -69.994
where: short stacking energy: -40.803
Base-Backbone interact. energy: 2.583
local terms energy: -89.234229
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -0.693
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: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -550.553813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.553813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.553813 (E_RNA)
where:
Base-Base interactions energy: -371.952
where: short stacking energy: -156.385
Base-Backbone interact. energy: -1.230
local terms energy: -177.371828
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -49.370
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: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -543.938119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.938119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.938119 (E_RNA)
where:
Base-Base interactions energy: -361.723
where: short stacking energy: -160.462
Base-Backbone interact. energy: 0.218
local terms energy: -182.432510
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -36.963
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -48.817
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: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -545.387977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.387977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.387977 (E_RNA)
where:
Base-Base interactions energy: -373.901
where: short stacking energy: -156.561
Base-Backbone interact. energy: -0.342
local terms energy: -171.145420
where:
bonds (distance) C4'-P energy: -35.123
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -48.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -515.555750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.555750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.555750 (E_RNA)
where:
Base-Base interactions energy: -348.031
where: short stacking energy: -152.523
Base-Backbone interact. energy: -0.779
local terms energy: -166.745653
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -44.441
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: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -470.531582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.531582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.531582 (E_RNA)
where:
Base-Base interactions energy: -316.931
where: short stacking energy: -127.330
Base-Backbone interact. energy: -0.021
local terms energy: -153.579913
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -29.504
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -35.324
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -484.854037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.854037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.854037 (E_RNA)
where:
Base-Base interactions energy: -325.394
where: short stacking energy: -139.700
Base-Backbone interact. energy: -0.702
local terms energy: -158.758436
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -36.331
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -39.689
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: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -371.752523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.752523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.752523 (E_RNA)
where:
Base-Base interactions energy: -241.783
where: short stacking energy: -108.136
Base-Backbone interact. energy: 0.030
local terms energy: -129.999022
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -23.263
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: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -160.933656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.933656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.933656 (E_RNA)
where:
Base-Base interactions energy: -49.899
where: short stacking energy: -39.530
Base-Backbone interact. energy: -2.579
local terms energy: -108.454826
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -18.448
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: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -154.580864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.580864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.580864 (E_RNA)
where:
Base-Base interactions energy: -51.188
where: short stacking energy: -49.797
Base-Backbone interact. energy: 0.765
local terms energy: -104.158257
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -6.173
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -146.614767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.614767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.614767 (E_RNA)
where:
Base-Base interactions energy: -51.975
where: short stacking energy: -41.578
Base-Backbone interact. energy: 0.712
local terms energy: -95.352362
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: 2.219
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: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -550.672982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.672982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.672982 (E_RNA)
where:
Base-Base interactions energy: -365.677
where: short stacking energy: -158.086
Base-Backbone interact. energy: 0.009
local terms energy: -185.005100
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -49.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -541.807145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.807145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.807145 (E_RNA)
where:
Base-Base interactions energy: -372.632
where: short stacking energy: -153.571
Base-Backbone interact. energy: -0.102
local terms energy: -169.073658
where:
bonds (distance) C4'-P energy: -28.897
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -27.691
tors. eta vs tors. theta energy: -42.881
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: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -520.973523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.973523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.973523 (E_RNA)
where:
Base-Base interactions energy: -349.805
where: short stacking energy: -156.181
Base-Backbone interact. energy: 0.077
local terms energy: -171.244779
where:
bonds (distance) C4'-P energy: -33.628
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -49.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -515.939406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.939406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.939406 (E_RNA)
where:
Base-Base interactions energy: -340.378
where: short stacking energy: -148.033
Base-Backbone interact. energy: -0.096
local terms energy: -175.464952
where:
bonds (distance) C4'-P energy: -35.596
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -35.652
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -487.000117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.000117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.000117 (E_RNA)
where:
Base-Base interactions energy: -319.905
where: short stacking energy: -123.118
Base-Backbone interact. energy: -0.674
local terms energy: -166.421768
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -42.321
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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -498.222497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.222497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.222497 (E_RNA)
where:
Base-Base interactions energy: -339.787
where: short stacking energy: -140.875
Base-Backbone interact. energy: -0.162
local terms energy: -158.273279
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -44.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -407.635866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.635866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.635866 (E_RNA)
where:
Base-Base interactions energy: -270.933
where: short stacking energy: -116.463
Base-Backbone interact. energy: -1.158
local terms energy: -135.544892
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -33.452
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: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -171.506159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.506159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.506159 (E_RNA)
where:
Base-Base interactions energy: -63.852
where: short stacking energy: -49.750
Base-Backbone interact. energy: -0.290
local terms energy: -107.364730
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: 3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -171.444024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.444024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.444024 (E_RNA)
where:
Base-Base interactions energy: -59.578
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.267
local terms energy: -111.598874
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -16.933
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: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -158.421241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.421241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.421241 (E_RNA)
where:
Base-Base interactions energy: -54.394
where: short stacking energy: -39.709
Base-Backbone interact. energy: -0.431
local terms energy: -103.596201
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -32.677
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -3.226
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: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -537.351581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.351581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.351581 (E_RNA)
where:
Base-Base interactions energy: -365.240
where: short stacking energy: -150.513
Base-Backbone interact. energy: -0.145
local terms energy: -171.967109
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -50.239
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: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -534.309918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.309918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.309918 (E_RNA)
where:
Base-Base interactions energy: -370.405
where: short stacking energy: -156.907
Base-Backbone interact. energy: -0.941
local terms energy: -162.963895
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -42.899
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: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -521.910608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.910608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.910608 (E_RNA)
where:
Base-Base interactions energy: -355.804
where: short stacking energy: -154.991
Base-Backbone interact. energy: -1.507
local terms energy: -164.599929
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -46.172
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: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -511.940267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.940267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.940267 (E_RNA)
where:
Base-Base interactions energy: -351.337
where: short stacking energy: -132.780
Base-Backbone interact. energy: -0.772
local terms energy: -159.831467
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -48.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -454.211627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.211627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.211627 (E_RNA)
where:
Base-Base interactions energy: -300.919
where: short stacking energy: -123.036
Base-Backbone interact. energy: 1.138
local terms energy: -154.430034
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -35.801
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -40.699
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: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -489.454131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.454131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.454131 (E_RNA)
where:
Base-Base interactions energy: -332.428
where: short stacking energy: -145.434
Base-Backbone interact. energy: -0.836
local terms energy: -156.189898
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -47.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -425.798814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.798814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.798814 (E_RNA)
where:
Base-Base interactions energy: -283.332
where: short stacking energy: -126.268
Base-Backbone interact. energy: 1.738
local terms energy: -144.204653
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -29.850
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -23.577
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -206.246441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.246441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.246441 (E_RNA)
where:
Base-Base interactions energy: -92.864
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.218
local terms energy: -113.163927
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -171.384423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.384423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.384423 (E_RNA)
where:
Base-Base interactions energy: -73.542
where: short stacking energy: -45.594
Base-Backbone interact. energy: -0.308
local terms energy: -97.534444
where:
bonds (distance) C4'-P energy: -34.676
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: 0.639
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: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -140.772410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.772410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.772410 (E_RNA)
where:
Base-Base interactions energy: -54.546
where: short stacking energy: -47.657
Base-Backbone interact. energy: 0.136
local terms energy: -86.362487
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -4.633
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: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -546.990303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.990303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.990303 (E_RNA)
where:
Base-Base interactions energy: -375.659
where: short stacking energy: -164.917
Base-Backbone interact. energy: -0.811
local terms energy: -170.520151
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -48.951
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: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -540.659423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.659423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.659423 (E_RNA)
where:
Base-Base interactions energy: -372.676
where: short stacking energy: -160.369
Base-Backbone interact. energy: -0.365
local terms energy: -167.618558
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -48.673
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -519.957595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.957595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.957595 (E_RNA)
where:
Base-Base interactions energy: -361.306
where: short stacking energy: -150.624
Base-Backbone interact. energy: -0.039
local terms energy: -158.612877
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -45.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -510.639970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.639970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.639970 (E_RNA)
where:
Base-Base interactions energy: -339.934
where: short stacking energy: -139.089
Base-Backbone interact. energy: -0.530
local terms energy: -170.175211
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -39.583
flat angles C4'-P-C4' energy: -32.612
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -40.595
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: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -460.099207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.099207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.099207 (E_RNA)
where:
Base-Base interactions energy: -306.116
where: short stacking energy: -133.390
Base-Backbone interact. energy: -0.022
local terms energy: -153.961000
where:
bonds (distance) C4'-P energy: -32.752
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -38.776
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: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -488.905809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.905809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.905809 (E_RNA)
where:
Base-Base interactions energy: -333.642
where: short stacking energy: -135.262
Base-Backbone interact. energy: -1.041
local terms energy: -154.222617
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -44.888
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: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -441.596729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.596729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.596729 (E_RNA)
where:
Base-Base interactions energy: -287.445
where: short stacking energy: -126.857
Base-Backbone interact. energy: -0.154
local terms energy: -153.998175
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -37.514
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -35.843
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: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -160.185261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.185261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.185261 (E_RNA)
where:
Base-Base interactions energy: -59.940
where: short stacking energy: -42.053
Base-Backbone interact. energy: 0.787
local terms energy: -101.031855
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: 2.848
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -173.662628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.662628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.662628 (E_RNA)
where:
Base-Base interactions energy: -78.427
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.367
local terms energy: -94.868530
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: 5.971
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: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -171.578909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.578909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.578909 (E_RNA)
where:
Base-Base interactions energy: -85.801
where: short stacking energy: -55.326
Base-Backbone interact. energy: -1.009
local terms energy: -84.769102
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -2.466
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: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -541.292787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.292787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.292787 (E_RNA)
where:
Base-Base interactions energy: -367.519
where: short stacking energy: -161.805
Base-Backbone interact. energy: -0.102
local terms energy: -173.671212
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -50.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -536.534019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.534019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.534019 (E_RNA)
where:
Base-Base interactions energy: -381.588
where: short stacking energy: -155.199
Base-Backbone interact. energy: 0.033
local terms energy: -154.979683
where:
bonds (distance) C4'-P energy: -33.045
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -25.718
tors. eta vs tors. theta energy: -41.697
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: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -525.451486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.451486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.451486 (E_RNA)
where:
Base-Base interactions energy: -359.289
where: short stacking energy: -142.491
Base-Backbone interact. energy: 1.825
local terms energy: -167.987215
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -49.400
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: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -518.218323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.218323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.218323 (E_RNA)
where:
Base-Base interactions energy: -365.307
where: short stacking energy: -158.223
Base-Backbone interact. energy: -0.025
local terms energy: -152.886329
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -47.024
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -469.909201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.909201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.909201 (E_RNA)
where:
Base-Base interactions energy: -321.393
where: short stacking energy: -140.606
Base-Backbone interact. energy: -0.190
local terms energy: -148.325788
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -42.876
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: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -465.752348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.752348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.752348 (E_RNA)
where:
Base-Base interactions energy: -305.975
where: short stacking energy: -140.013
Base-Backbone interact. energy: -0.145
local terms energy: -159.631454
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -39.244
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: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -431.720899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.720899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.720899 (E_RNA)
where:
Base-Base interactions energy: -297.476
where: short stacking energy: -123.750
Base-Backbone interact. energy: -0.777
local terms energy: -133.468063
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -29.599
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -35.130
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: 452
Temperature: 1.250000
Total energy: -246.940775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.940775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.940775 (E_RNA)
where:
Base-Base interactions energy: -135.318
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.697
local terms energy: -110.925580
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -10.706
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: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -173.446046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.446046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.446046 (E_RNA)
where:
Base-Base interactions energy: -57.688
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.195
local terms energy: -115.563333
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -137.517090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.517090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.517090 (E_RNA)
where:
Base-Base interactions energy: -43.837
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.112
local terms energy: -93.568624
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -4.470
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: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -525.733671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.733671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.733671 (E_RNA)
where:
Base-Base interactions energy: -364.126
where: short stacking energy: -152.587
Base-Backbone interact. energy: 1.943
local terms energy: -163.551091
where:
bonds (distance) C4'-P energy: -26.842
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -40.928
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: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -535.071092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.071092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.071092 (E_RNA)
where:
Base-Base interactions energy: -361.942
where: short stacking energy: -157.514
Base-Backbone interact. energy: 0.017
local terms energy: -173.146423
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -37.252
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -42.899
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: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -527.875358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.875358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.875358 (E_RNA)
where:
Base-Base interactions energy: -370.568
where: short stacking energy: -164.154
Base-Backbone interact. energy: 0.480
local terms energy: -157.787314
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -47.604
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: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -500.805589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.805589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.805589 (E_RNA)
where:
Base-Base interactions energy: -344.596
where: short stacking energy: -151.153
Base-Backbone interact. energy: -0.260
local terms energy: -155.950065
where:
bonds (distance) C4'-P energy: -27.574
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -42.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -453.536795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.536795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.536795 (E_RNA)
where:
Base-Base interactions energy: -291.092
where: short stacking energy: -122.199
Base-Backbone interact. energy: -0.731
local terms energy: -161.713521
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -42.647
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: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -427.351230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.351230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.351230 (E_RNA)
where:
Base-Base interactions energy: -284.425
where: short stacking energy: -116.717
Base-Backbone interact. energy: -0.215
local terms energy: -142.710509
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -39.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -432.663369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.663369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.663369 (E_RNA)
where:
Base-Base interactions energy: -279.912
where: short stacking energy: -125.088
Base-Backbone interact. energy: 0.884
local terms energy: -153.635286
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -37.050
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: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -176.969645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969645 (E_RNA)
where:
Base-Base interactions energy: -74.975
where: short stacking energy: -40.683
Base-Backbone interact. energy: 0.636
local terms energy: -102.630272
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -26.710
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: 5.296
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: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -152.995717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.995717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.995717 (E_RNA)
where:
Base-Base interactions energy: -46.073
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.210
local terms energy: -106.712832
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -37.462
flat angles C4'-P-C4' energy: -28.011
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: 1.245
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: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -142.839382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.839382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.839382 (E_RNA)
where:
Base-Base interactions energy: -58.681
where: short stacking energy: -34.275
Base-Backbone interact. energy: 0.441
local terms energy: -84.598636
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: 12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -548.416633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.416633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.416633 (E_RNA)
where:
Base-Base interactions energy: -376.001
where: short stacking energy: -151.159
Base-Backbone interact. energy: -0.343
local terms energy: -172.072062
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -34.671
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -49.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -529.329526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.329526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.329526 (E_RNA)
where:
Base-Base interactions energy: -362.851
where: short stacking energy: -161.483
Base-Backbone interact. energy: -0.657
local terms energy: -165.822024
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -50.122
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: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -518.440865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.440865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.440865 (E_RNA)
where:
Base-Base interactions energy: -355.414
where: short stacking energy: -154.919
Base-Backbone interact. energy: -0.044
local terms energy: -162.982413
where:
bonds (distance) C4'-P energy: -28.499
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -47.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -499.227471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.227471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.227471 (E_RNA)
where:
Base-Base interactions energy: -330.632
where: short stacking energy: -146.273
Base-Backbone interact. energy: 1.627
local terms energy: -170.222012
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -37.768
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -42.392
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -483.449930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.449930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.449930 (E_RNA)
where:
Base-Base interactions energy: -330.865
where: short stacking energy: -138.932
Base-Backbone interact. energy: -0.741
local terms energy: -151.843892
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -37.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -434.240499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.240499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.240499 (E_RNA)
where:
Base-Base interactions energy: -284.846
where: short stacking energy: -115.869
Base-Backbone interact. energy: -0.498
local terms energy: -148.896599
where:
bonds (distance) C4'-P energy: -27.095
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -31.562
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: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -410.778836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.778836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.778836 (E_RNA)
where:
Base-Base interactions energy: -274.035
where: short stacking energy: -120.274
Base-Backbone interact. energy: -0.642
local terms energy: -136.102457
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -29.149
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: 454
Temperature: 1.250000
Total energy: -162.459907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.459907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.459907 (E_RNA)
where:
Base-Base interactions energy: -74.306
where: short stacking energy: -53.263
Base-Backbone interact. energy: 0.549
local terms energy: -88.702694
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -2.805
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -221.981168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.981168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.981168 (E_RNA)
where:
Base-Base interactions energy: -120.807
where: short stacking energy: -53.797
Base-Backbone interact. energy: -0.531
local terms energy: -100.643231
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -152.360163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.360163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.360163 (E_RNA)
where:
Base-Base interactions energy: -57.925
where: short stacking energy: -57.236
Base-Backbone interact. energy: 0.042
local terms energy: -94.476774
where:
bonds (distance) C4'-P energy: -33.759
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: 1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -549.616034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.616034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.616034 (E_RNA)
where:
Base-Base interactions energy: -372.480
where: short stacking energy: -149.824
Base-Backbone interact. energy: -0.323
local terms energy: -176.813176
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -46.963
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: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -539.268612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.268612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.268612 (E_RNA)
where:
Base-Base interactions energy: -365.204
where: short stacking energy: -161.551
Base-Backbone interact. energy: -0.382
local terms energy: -173.682805
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -39.528
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -49.949
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: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -524.185297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.185297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.185297 (E_RNA)
where:
Base-Base interactions energy: -359.810
where: short stacking energy: -144.717
Base-Backbone interact. energy: 1.500
local terms energy: -165.874750
where:
bonds (distance) C4'-P energy: -32.506
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -39.895
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: 455
Temperature: 1.050000
Total energy: -528.393995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.393995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.393995 (E_RNA)
where:
Base-Base interactions energy: -359.828
where: short stacking energy: -156.004
Base-Backbone interact. energy: -0.656
local terms energy: -167.910050
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -29.792
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -45.899
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: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -482.955895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.955895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.955895 (E_RNA)
where:
Base-Base interactions energy: -328.647
where: short stacking energy: -135.339
Base-Backbone interact. energy: -1.977
local terms energy: -152.331264
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -35.744
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: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -417.197890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.197890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.197890 (E_RNA)
where:
Base-Base interactions energy: -277.061
where: short stacking energy: -114.348
Base-Backbone interact. energy: -0.246
local terms energy: -139.891142
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -32.500
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -28.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -427.035311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.035311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.035311 (E_RNA)
where:
Base-Base interactions energy: -291.891
where: short stacking energy: -122.315
Base-Backbone interact. energy: -0.791
local terms energy: -134.352655
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -33.122
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: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -180.153285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.153285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.153285 (E_RNA)
where:
Base-Base interactions energy: -66.982
where: short stacking energy: -65.295
Base-Backbone interact. energy: -0.195
local terms energy: -112.976374
where:
bonds (distance) C4'-P energy: -31.849
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -12.170
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: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -175.304513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.304513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.304513 (E_RNA)
where:
Base-Base interactions energy: -78.037
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.080
local terms energy: -97.187169
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -126.877822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.877822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.877822 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -31.109
Base-Backbone interact. energy: -1.178
local terms energy: -93.364854
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: 2.665
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: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -556.164076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.164076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.164076 (E_RNA)
where:
Base-Base interactions energy: -368.841
where: short stacking energy: -157.537
Base-Backbone interact. energy: -0.223
local terms energy: -187.099598
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -39.940
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -53.303
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: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -547.555546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.555546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.555546 (E_RNA)
where:
Base-Base interactions energy: -376.049
where: short stacking energy: -158.832
Base-Backbone interact. energy: -0.101
local terms energy: -171.405081
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -51.898
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: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -519.048345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.048345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.048345 (E_RNA)
where:
Base-Base interactions energy: -362.982
where: short stacking energy: -151.321
Base-Backbone interact. energy: -0.578
local terms energy: -155.488627
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -43.577
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: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -518.397812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.397812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.397812 (E_RNA)
where:
Base-Base interactions energy: -349.118
where: short stacking energy: -147.772
Base-Backbone interact. energy: -0.451
local terms energy: -168.828370
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -46.074
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: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -508.655722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.655722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.655722 (E_RNA)
where:
Base-Base interactions energy: -348.692
where: short stacking energy: -152.520
Base-Backbone interact. energy: -0.907
local terms energy: -159.057014
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -44.247
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: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -416.597730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.597730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.597730 (E_RNA)
where:
Base-Base interactions energy: -279.091
where: short stacking energy: -109.395
Base-Backbone interact. energy: -0.540
local terms energy: -136.967152
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -28.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -412.204348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.204348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.204348 (E_RNA)
where:
Base-Base interactions energy: -278.468
where: short stacking energy: -123.182
Base-Backbone interact. energy: -0.440
local terms energy: -133.296818
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -27.954
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: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -154.721157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.721157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.721157 (E_RNA)
where:
Base-Base interactions energy: -55.626
where: short stacking energy: -54.489
Base-Backbone interact. energy: 0.292
local terms energy: -99.388073
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -7.327
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: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -155.583727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.583727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.583727 (E_RNA)
where:
Base-Base interactions energy: -64.024
where: short stacking energy: -38.687
Base-Backbone interact. energy: 0.196
local terms energy: -91.756094
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -2.693
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: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -139.830327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.830327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.830327 (E_RNA)
where:
Base-Base interactions energy: -57.671
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.621
local terms energy: -81.537794
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -0.923
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: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -551.048310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.048310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.048310 (E_RNA)
where:
Base-Base interactions energy: -370.133
where: short stacking energy: -162.402
Base-Backbone interact. energy: -0.042
local terms energy: -180.873060
where:
bonds (distance) C4'-P energy: -33.498
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -49.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -542.201075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.201075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.201075 (E_RNA)
where:
Base-Base interactions energy: -361.622
where: short stacking energy: -160.629
Base-Backbone interact. energy: -0.746
local terms energy: -179.832550
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -53.701
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: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -520.092858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.092858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.092858 (E_RNA)
where:
Base-Base interactions energy: -353.073
where: short stacking energy: -156.301
Base-Backbone interact. energy: -0.178
local terms energy: -166.841198
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -50.626
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: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -513.710758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.710758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.710758 (E_RNA)
where:
Base-Base interactions energy: -356.388
where: short stacking energy: -152.967
Base-Backbone interact. energy: 0.898
local terms energy: -158.220891
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -43.537
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: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -496.345228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.345228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.345228 (E_RNA)
where:
Base-Base interactions energy: -338.496
where: short stacking energy: -145.954
Base-Backbone interact. energy: -0.265
local terms energy: -157.584910
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -30.606
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -45.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -447.445988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.445988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.445988 (E_RNA)
where:
Base-Base interactions energy: -305.381
where: short stacking energy: -127.031
Base-Backbone interact. energy: 0.182
local terms energy: -142.247032
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -25.857
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: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -420.798495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.798495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.798495 (E_RNA)
where:
Base-Base interactions energy: -281.506
where: short stacking energy: -110.214
Base-Backbone interact. energy: -1.342
local terms energy: -137.951309
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -28.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -186.121724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.121724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.121724 (E_RNA)
where:
Base-Base interactions energy: -83.687
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.595
local terms energy: -101.839377
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -9.350
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: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -161.308431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.308431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.308431 (E_RNA)
where:
Base-Base interactions energy: -69.379
where: short stacking energy: -40.219
Base-Backbone interact. energy: 5.490
local terms energy: -97.419892
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: 2.063
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: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -141.755245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.755245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.755245 (E_RNA)
where:
Base-Base interactions energy: -52.763
where: short stacking energy: -38.117
Base-Backbone interact. energy: -0.418
local terms energy: -88.574471
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -32.266
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: 3.424
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: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -555.307312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.307312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.307312 (E_RNA)
where:
Base-Base interactions energy: -373.354
where: short stacking energy: -157.802
Base-Backbone interact. energy: -1.337
local terms energy: -180.616734
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -33.756
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -53.361
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: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -532.126047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.126047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.126047 (E_RNA)
where:
Base-Base interactions energy: -357.736
where: short stacking energy: -148.386
Base-Backbone interact. energy: -0.717
local terms energy: -173.672720
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -39.821
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -49.291
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: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -533.443087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.443087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.443087 (E_RNA)
where:
Base-Base interactions energy: -353.810
where: short stacking energy: -163.441
Base-Backbone interact. energy: 0.967
local terms energy: -180.599741
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -37.294
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -50.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -534.263085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.263085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.263085 (E_RNA)
where:
Base-Base interactions energy: -357.878
where: short stacking energy: -144.397
Base-Backbone interact. energy: -1.547
local terms energy: -174.838010
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -47.962
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -503.934260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.934260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.934260 (E_RNA)
where:
Base-Base interactions energy: -345.836
where: short stacking energy: -145.844
Base-Backbone interact. energy: -0.147
local terms energy: -157.951620
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -49.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -437.135960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.135960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.135960 (E_RNA)
where:
Base-Base interactions energy: -293.641
where: short stacking energy: -118.049
Base-Backbone interact. energy: 0.373
local terms energy: -143.867933
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -35.063
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: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -422.230830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.230830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.230830 (E_RNA)
where:
Base-Base interactions energy: -284.958
where: short stacking energy: -121.989
Base-Backbone interact. energy: 0.015
local terms energy: -137.287974
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -38.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -172.754072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.754072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.754072 (E_RNA)
where:
Base-Base interactions energy: -66.771
where: short stacking energy: -53.441
Base-Backbone interact. energy: -3.219
local terms energy: -102.763703
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -6.326
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: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -154.408674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.408674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.408674 (E_RNA)
where:
Base-Base interactions energy: -53.835
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.748
local terms energy: -99.825541
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -1.658
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: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -156.181667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.181667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.181667 (E_RNA)
where:
Base-Base interactions energy: -50.241
where: short stacking energy: -22.737
Base-Backbone interact. energy: -0.510
local terms energy: -105.430758
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: 0.408
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: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -557.852966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.852966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.852966 (E_RNA)
where:
Base-Base interactions energy: -377.120
where: short stacking energy: -161.343
Base-Backbone interact. energy: -0.384
local terms energy: -180.348298
where:
bonds (distance) C4'-P energy: -35.161
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -51.667
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -531.267185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.267185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.267185 (E_RNA)
where:
Base-Base interactions energy: -348.524
where: short stacking energy: -149.349
Base-Backbone interact. energy: -0.036
local terms energy: -182.707315
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -33.648
flat angles C4'-P-C4' energy: -37.931
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -51.401
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: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -526.066199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.066199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.066199 (E_RNA)
where:
Base-Base interactions energy: -349.441
where: short stacking energy: -149.380
Base-Backbone interact. energy: -0.103
local terms energy: -176.522202
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -31.263
tors. eta vs tors. theta energy: -45.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -500.570830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.570830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.570830 (E_RNA)
where:
Base-Base interactions energy: -344.091
where: short stacking energy: -151.729
Base-Backbone interact. energy: -0.129
local terms energy: -156.350953
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -45.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -515.567499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.567499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.567499 (E_RNA)
where:
Base-Base interactions energy: -346.563
where: short stacking energy: -153.246
Base-Backbone interact. energy: -0.010
local terms energy: -168.994250
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -48.002
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: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -450.989573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.989573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.989573 (E_RNA)
where:
Base-Base interactions energy: -305.032
where: short stacking energy: -135.710
Base-Backbone interact. energy: 3.160
local terms energy: -149.117706
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -45.438
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: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -418.269432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.269432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.269432 (E_RNA)
where:
Base-Base interactions energy: -287.610
where: short stacking energy: -122.537
Base-Backbone interact. energy: 1.072
local terms energy: -131.730669
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -29.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -181.591249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.591249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.591249 (E_RNA)
where:
Base-Base interactions energy: -75.100
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.659
local terms energy: -105.831836
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -146.265193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.265193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.265193 (E_RNA)
where:
Base-Base interactions energy: -51.657
where: short stacking energy: -41.271
Base-Backbone interact. energy: -1.167
local terms energy: -93.440501
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -137.266665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.266665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.266665 (E_RNA)
where:
Base-Base interactions energy: -51.224
where: short stacking energy: -31.076
Base-Backbone interact. energy: -0.612
local terms energy: -85.431073
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: 2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -557.329906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.329906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.329906 (E_RNA)
where:
Base-Base interactions energy: -375.521
where: short stacking energy: -155.909
Base-Backbone interact. energy: 0.537
local terms energy: -182.346246
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -33.405
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -46.329
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: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -541.259160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.259160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.259160 (E_RNA)
where:
Base-Base interactions energy: -360.942
where: short stacking energy: -163.614
Base-Backbone interact. energy: -0.350
local terms energy: -179.967432
where:
bonds (distance) C4'-P energy: -31.970
bonds (distance) P-C4' energy: -34.531
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -51.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -524.375118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.375118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.375118 (E_RNA)
where:
Base-Base interactions energy: -349.991
where: short stacking energy: -144.880
Base-Backbone interact. energy: -0.409
local terms energy: -173.974955
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -40.085
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -45.598
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: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -486.614511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.614511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.614511 (E_RNA)
where:
Base-Base interactions energy: -332.579
where: short stacking energy: -146.534
Base-Backbone interact. energy: -0.981
local terms energy: -153.054761
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -507.935107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.935107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.935107 (E_RNA)
where:
Base-Base interactions energy: -340.846
where: short stacking energy: -142.240
Base-Backbone interact. energy: -0.896
local terms energy: -166.193170
where:
bonds (distance) C4'-P energy: -35.047
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -46.062
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: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -460.993394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.993394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.993394 (E_RNA)
where:
Base-Base interactions energy: -314.472
where: short stacking energy: -144.254
Base-Backbone interact. energy: -0.420
local terms energy: -146.101112
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -24.145
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: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -416.758098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.758098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.758098 (E_RNA)
where:
Base-Base interactions energy: -271.401
where: short stacking energy: -116.366
Base-Backbone interact. energy: -0.177
local terms energy: -145.180629
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -34.475
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: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -167.617369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.617369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.617369 (E_RNA)
where:
Base-Base interactions energy: -61.733
where: short stacking energy: -55.903
Base-Backbone interact. energy: 0.000
local terms energy: -105.884617
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -0.748
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: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -146.099392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.099392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.099392 (E_RNA)
where:
Base-Base interactions energy: -51.165
where: short stacking energy: -32.904
Base-Backbone interact. energy: -0.755
local terms energy: -94.179207
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: 4.509
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: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -148.879508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.879508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.879508 (E_RNA)
where:
Base-Base interactions energy: -64.309
where: short stacking energy: -56.019
Base-Backbone interact. energy: 1.817
local terms energy: -86.387272
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: 1.624
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: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -545.569793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.569793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.569793 (E_RNA)
where:
Base-Base interactions energy: -365.239
where: short stacking energy: -159.547
Base-Backbone interact. energy: -2.721
local terms energy: -177.610121
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -37.537
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -50.209
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: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -545.145466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.145466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.145466 (E_RNA)
where:
Base-Base interactions energy: -372.981
where: short stacking energy: -164.675
Base-Backbone interact. energy: -0.200
local terms energy: -171.964882
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -48.168
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -528.473557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.473557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.473557 (E_RNA)
where:
Base-Base interactions energy: -350.359
where: short stacking energy: -150.126
Base-Backbone interact. energy: -0.991
local terms energy: -177.123539
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -30.503
tors. eta vs tors. theta energy: -47.747
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: 461
Temperature: 1.050000
Total energy: -511.070219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.070219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.070219 (E_RNA)
where:
Base-Base interactions energy: -338.885
where: short stacking energy: -148.246
Base-Backbone interact. energy: -0.090
local terms energy: -172.095413
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -485.403481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.403481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.403481 (E_RNA)
where:
Base-Base interactions energy: -333.115
where: short stacking energy: -131.506
Base-Backbone interact. energy: -0.166
local terms energy: -152.122205
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -35.472
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -38.823
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: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -441.137952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.137952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.137952 (E_RNA)
where:
Base-Base interactions energy: -293.228
where: short stacking energy: -123.224
Base-Backbone interact. energy: -0.423
local terms energy: -147.486355
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -31.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -409.889285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.889285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.889285 (E_RNA)
where:
Base-Base interactions energy: -275.319
where: short stacking energy: -112.206
Base-Backbone interact. energy: -0.644
local terms energy: -133.925697
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -28.397
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -25.372
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -169.889454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.889454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.889454 (E_RNA)
where:
Base-Base interactions energy: -54.399
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.827
local terms energy: -114.663249
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -1.361
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: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -155.996919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.996919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.996919 (E_RNA)
where:
Base-Base interactions energy: -53.068
where: short stacking energy: -48.916
Base-Backbone interact. energy: -1.515
local terms energy: -101.414067
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -32.774
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -141.676293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.676293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.676293 (E_RNA)
where:
Base-Base interactions energy: -34.386
where: short stacking energy: -32.992
Base-Backbone interact. energy: -1.140
local terms energy: -106.149999
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -6.860
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: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -557.481495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.481495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.481495 (E_RNA)
where:
Base-Base interactions energy: -372.812
where: short stacking energy: -168.414
Base-Backbone interact. energy: -0.617
local terms energy: -184.052728
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -53.370
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: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -541.104729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.104729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.104729 (E_RNA)
where:
Base-Base interactions energy: -360.779
where: short stacking energy: -156.060
Base-Backbone interact. energy: -0.196
local terms energy: -180.129921
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -46.905
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: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -534.274847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.274847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.274847 (E_RNA)
where:
Base-Base interactions energy: -360.188
where: short stacking energy: -160.226
Base-Backbone interact. energy: -0.230
local terms energy: -173.856962
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -40.094
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -52.070
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -514.363525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.363525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.363525 (E_RNA)
where:
Base-Base interactions energy: -354.717
where: short stacking energy: -148.719
Base-Backbone interact. energy: 0.055
local terms energy: -159.701284
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -40.601
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -42.826
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: 462
Temperature: 1.100000
Total energy: -485.813508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.813508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.813508 (E_RNA)
where:
Base-Base interactions energy: -326.337
where: short stacking energy: -134.198
Base-Backbone interact. energy: -1.520
local terms energy: -157.957339
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -26.163
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: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -427.506594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.506594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.506594 (E_RNA)
where:
Base-Base interactions energy: -281.893
where: short stacking energy: -120.726
Base-Backbone interact. energy: -0.280
local terms energy: -145.333633
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -34.177
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: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -416.850536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.850536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.850536 (E_RNA)
where:
Base-Base interactions energy: -284.688
where: short stacking energy: -119.437
Base-Backbone interact. energy: 0.854
local terms energy: -133.015732
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -30.076
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: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -239.128513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.128513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.128513 (E_RNA)
where:
Base-Base interactions energy: -135.233
where: short stacking energy: -64.602
Base-Backbone interact. energy: 0.251
local terms energy: -104.146198
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -9.127
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: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -177.029581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.029581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.029581 (E_RNA)
where:
Base-Base interactions energy: -66.722
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.457
local terms energy: -109.849917
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -27.887
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -12.946
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: 462
Temperature: 1.350000
Total energy: -143.372401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.372401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.372401 (E_RNA)
where:
Base-Base interactions energy: -42.909
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.364
local terms energy: -100.099588
where:
bonds (distance) C4'-P energy: -30.323
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -554.687588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.687588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.687588 (E_RNA)
where:
Base-Base interactions energy: -363.788
where: short stacking energy: -159.792
Base-Backbone interact. energy: -0.166
local terms energy: -190.733731
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -28.018
tors. eta vs tors. theta energy: -52.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -562.451244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.451244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.451244 (E_RNA)
where:
Base-Base interactions energy: -382.297
where: short stacking energy: -162.729
Base-Backbone interact. energy: -0.253
local terms energy: -179.902057
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -37.139
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -51.423
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: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -528.117915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.117915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.117915 (E_RNA)
where:
Base-Base interactions energy: -353.942
where: short stacking energy: -162.772
Base-Backbone interact. energy: -0.090
local terms energy: -174.086353
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -49.531
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: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -497.165993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.165993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.165993 (E_RNA)
where:
Base-Base interactions energy: -343.972
where: short stacking energy: -135.256
Base-Backbone interact. energy: -0.564
local terms energy: -152.629578
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -39.520
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: 463
Temperature: 1.100000
Total energy: -493.218537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.218537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.218537 (E_RNA)
where:
Base-Base interactions energy: -341.825
where: short stacking energy: -147.220
Base-Backbone interact. energy: -0.221
local terms energy: -151.172289
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -434.114386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.114386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.114386 (E_RNA)
where:
Base-Base interactions energy: -299.000
where: short stacking energy: -115.644
Base-Backbone interact. energy: 0.053
local terms energy: -135.167308
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -33.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -414.394133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.394133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.394133 (E_RNA)
where:
Base-Base interactions energy: -270.302
where: short stacking energy: -114.422
Base-Backbone interact. energy: 0.035
local terms energy: -144.127514
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -36.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -232.404377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.404377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.404377 (E_RNA)
where:
Base-Base interactions energy: -118.182
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.738
local terms energy: -113.484730
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -11.455
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: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -153.583023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.583023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.583023 (E_RNA)
where:
Base-Base interactions energy: -68.836
where: short stacking energy: -39.360
Base-Backbone interact. energy: -1.002
local terms energy: -83.744884
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -10.088
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: 463
Temperature: 1.350000
Total energy: -149.340066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.340066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.340066 (E_RNA)
where:
Base-Base interactions energy: -42.448
where: short stacking energy: -37.466
Base-Backbone interact. energy: 2.579
local terms energy: -109.470547
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -5.161
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: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -552.748024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.748024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.748024 (E_RNA)
where:
Base-Base interactions energy: -376.198
where: short stacking energy: -158.074
Base-Backbone interact. energy: -0.366
local terms energy: -176.184172
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -45.804
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: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -544.344747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.344747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.344747 (E_RNA)
where:
Base-Base interactions energy: -369.097
where: short stacking energy: -162.419
Base-Backbone interact. energy: 0.294
local terms energy: -175.540977
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -39.874
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -52.980
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: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -522.060483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.060483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.060483 (E_RNA)
where:
Base-Base interactions energy: -349.693
where: short stacking energy: -143.973
Base-Backbone interact. energy: -0.424
local terms energy: -171.943424
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -33.793
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -41.048
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: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -527.359012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.359012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.359012 (E_RNA)
where:
Base-Base interactions energy: -353.534
where: short stacking energy: -142.161
Base-Backbone interact. energy: -0.101
local terms energy: -173.723474
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -36.720
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -47.846
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: 464
Temperature: 1.100000
Total energy: -478.474696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.474696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.474696 (E_RNA)
where:
Base-Base interactions energy: -319.802
where: short stacking energy: -138.514
Base-Backbone interact. energy: 0.192
local terms energy: -158.865224
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -41.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -433.188240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.188240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.188240 (E_RNA)
where:
Base-Base interactions energy: -298.586
where: short stacking energy: -136.261
Base-Backbone interact. energy: -0.563
local terms energy: -134.038846
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -42.418
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: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -416.471727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.471727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.471727 (E_RNA)
where:
Base-Base interactions energy: -277.857
where: short stacking energy: -106.304
Base-Backbone interact. energy: -1.878
local terms energy: -136.736835
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -27.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -223.720871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.720871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.720871 (E_RNA)
where:
Base-Base interactions energy: -110.944
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.623
local terms energy: -112.153883
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -145.705614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.705614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.705614 (E_RNA)
where:
Base-Base interactions energy: -56.588
where: short stacking energy: -35.264
Base-Backbone interact. energy: -1.967
local terms energy: -87.150414
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: 8.554
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: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -150.310768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.310768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.310768 (E_RNA)
where:
Base-Base interactions energy: -58.108
where: short stacking energy: -40.840
Base-Backbone interact. energy: -1.153
local terms energy: -91.049517
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -1.217
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: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -556.363972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.363972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.363972 (E_RNA)
where:
Base-Base interactions energy: -363.735
where: short stacking energy: -158.457
Base-Backbone interact. energy: -0.084
local terms energy: -192.544727
where:
bonds (distance) C4'-P energy: -36.345
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -28.834
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: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -552.141936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.141936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.141936 (E_RNA)
where:
Base-Base interactions energy: -366.734
where: short stacking energy: -158.328
Base-Backbone interact. energy: -0.542
local terms energy: -184.866525
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -53.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -523.665915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.665915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.665915 (E_RNA)
where:
Base-Base interactions energy: -356.901
where: short stacking energy: -149.661
Base-Backbone interact. energy: -0.778
local terms energy: -165.987367
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -44.106
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: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -523.699947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.699947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.699947 (E_RNA)
where:
Base-Base interactions energy: -348.701
where: short stacking energy: -143.696
Base-Backbone interact. energy: -0.663
local terms energy: -174.336405
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -35.209
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -44.595
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: 465
Temperature: 1.100000
Total energy: -503.465348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.465348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.465348 (E_RNA)
where:
Base-Base interactions energy: -332.827
where: short stacking energy: -143.412
Base-Backbone interact. energy: -0.125
local terms energy: -170.513259
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -45.972
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: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -427.539830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.539830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.539830 (E_RNA)
where:
Base-Base interactions energy: -289.762
where: short stacking energy: -136.381
Base-Backbone interact. energy: -0.256
local terms energy: -137.521080
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -38.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -403.351883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.351883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.351883 (E_RNA)
where:
Base-Base interactions energy: -261.296
where: short stacking energy: -106.069
Base-Backbone interact. energy: 0.648
local terms energy: -142.703994
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -31.095
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: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -224.884904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.884904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.884904 (E_RNA)
where:
Base-Base interactions energy: -127.205
where: short stacking energy: -66.307
Base-Backbone interact. energy: 0.403
local terms energy: -98.082639
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -6.591
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: 465
Temperature: 1.300000
Total energy: -147.150887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.150887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.150887 (E_RNA)
where:
Base-Base interactions energy: -47.729
where: short stacking energy: -24.457
Base-Backbone interact. energy: -0.425
local terms energy: -98.996363
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -155.470086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.470086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.470086 (E_RNA)
where:
Base-Base interactions energy: -64.021
where: short stacking energy: -37.123
Base-Backbone interact. energy: 0.580
local terms energy: -92.028249
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: 3.376
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: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -561.806842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.806842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.806842 (E_RNA)
where:
Base-Base interactions energy: -380.774
where: short stacking energy: -176.165
Base-Backbone interact. energy: -0.325
local terms energy: -180.708304
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -28.660
tors. eta vs tors. theta energy: -54.746
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: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -548.696030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.696030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.696030 (E_RNA)
where:
Base-Base interactions energy: -365.021
where: short stacking energy: -164.094
Base-Backbone interact. energy: -0.455
local terms energy: -183.220230
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -55.928
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: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -532.605160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.605160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.605160 (E_RNA)
where:
Base-Base interactions energy: -358.257
where: short stacking energy: -149.063
Base-Backbone interact. energy: -0.123
local terms energy: -174.225867
where:
bonds (distance) C4'-P energy: -37.056
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -42.904
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: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -521.311556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.311556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.311556 (E_RNA)
where:
Base-Base interactions energy: -351.815
where: short stacking energy: -156.039
Base-Backbone interact. energy: -0.309
local terms energy: -169.187781
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -47.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -498.428254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.428254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.428254 (E_RNA)
where:
Base-Base interactions energy: -337.156
where: short stacking energy: -145.520
Base-Backbone interact. energy: -0.092
local terms energy: -161.179816
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -425.571012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.571012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.571012 (E_RNA)
where:
Base-Base interactions energy: -272.727
where: short stacking energy: -114.631
Base-Backbone interact. energy: -0.241
local terms energy: -152.603006
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -33.313
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -37.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -407.667549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.667549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.667549 (E_RNA)
where:
Base-Base interactions energy: -269.470
where: short stacking energy: -117.079
Base-Backbone interact. energy: -1.712
local terms energy: -136.485890
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -35.722
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -26.113
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: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -184.108557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.108557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108557 (E_RNA)
where:
Base-Base interactions energy: -79.502
where: short stacking energy: -78.580
Base-Backbone interact. energy: -0.200
local terms energy: -104.406923
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -5.728
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: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -161.242486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.242486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.242486 (E_RNA)
where:
Base-Base interactions energy: -60.071
where: short stacking energy: -59.082
Base-Backbone interact. energy: -0.917
local terms energy: -100.253977
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -37.014
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: 2.060
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: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -139.171004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.171004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.171004 (E_RNA)
where:
Base-Base interactions energy: -37.114
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.401
local terms energy: -101.655902
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -550.455505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.455505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.455505 (E_RNA)
where:
Base-Base interactions energy: -383.265
where: short stacking energy: -168.078
Base-Backbone interact. energy: -0.651
local terms energy: -166.539704
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -51.151
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: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -560.351444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.351444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.351444 (E_RNA)
where:
Base-Base interactions energy: -387.475
where: short stacking energy: -157.882
Base-Backbone interact. energy: -1.295
local terms energy: -171.580725
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -51.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -505.690977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.690977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.690977 (E_RNA)
where:
Base-Base interactions energy: -344.825
where: short stacking energy: -140.820
Base-Backbone interact. energy: -0.031
local terms energy: -160.834921
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -34.009
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -41.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -530.841883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.841883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.841883 (E_RNA)
where:
Base-Base interactions energy: -359.019
where: short stacking energy: -162.293
Base-Backbone interact. energy: -0.032
local terms energy: -171.791390
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -47.327
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: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -505.918574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.918574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.918574 (E_RNA)
where:
Base-Base interactions energy: -343.764
where: short stacking energy: -140.831
Base-Backbone interact. energy: -1.015
local terms energy: -161.139667
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -419.578626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.578626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.578626 (E_RNA)
where:
Base-Base interactions energy: -269.851
where: short stacking energy: -115.532
Base-Backbone interact. energy: -0.176
local terms energy: -149.551876
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -35.737
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: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -416.753143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.753143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.753143 (E_RNA)
where:
Base-Base interactions energy: -273.785
where: short stacking energy: -128.277
Base-Backbone interact. energy: -0.249
local terms energy: -142.719887
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -162.333894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.333894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.333894 (E_RNA)
where:
Base-Base interactions energy: -65.724
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.934
local terms energy: -95.675038
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -8.270
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: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -140.574420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.574420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.574420 (E_RNA)
where:
Base-Base interactions energy: -42.793
where: short stacking energy: -41.310
Base-Backbone interact. energy: -1.288
local terms energy: -96.494199
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -18.208
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: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -172.725969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.725969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.725969 (E_RNA)
where:
Base-Base interactions energy: -72.066
where: short stacking energy: -38.880
Base-Backbone interact. energy: -0.747
local terms energy: -99.912838
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: 2.268
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: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -561.950995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.950995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.950995 (E_RNA)
where:
Base-Base interactions energy: -390.651
where: short stacking energy: -166.155
Base-Backbone interact. energy: -0.066
local terms energy: -171.234127
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -51.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -540.499957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.499957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.499957 (E_RNA)
where:
Base-Base interactions energy: -372.634
where: short stacking energy: -153.868
Base-Backbone interact. energy: -0.381
local terms energy: -167.484947
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -47.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -511.872304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.872304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.872304 (E_RNA)
where:
Base-Base interactions energy: -340.985
where: short stacking energy: -143.363
Base-Backbone interact. energy: -0.579
local terms energy: -170.308005
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -27.887
tors. eta vs tors. theta energy: -41.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -517.568713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.568713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.568713 (E_RNA)
where:
Base-Base interactions energy: -342.455
where: short stacking energy: -140.049
Base-Backbone interact. energy: -0.376
local terms energy: -174.737664
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -48.372
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: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -503.962563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.962563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.962563 (E_RNA)
where:
Base-Base interactions energy: -341.612
where: short stacking energy: -142.841
Base-Backbone interact. energy: -0.150
local terms energy: -162.200992
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -34.700
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -41.925
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: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -422.966006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.966006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.966006 (E_RNA)
where:
Base-Base interactions energy: -271.337
where: short stacking energy: -124.331
Base-Backbone interact. energy: -0.254
local terms energy: -151.374437
where:
bonds (distance) C4'-P energy: -28.818
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -32.244
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: -38.742
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: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -416.395813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.395813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.395813 (E_RNA)
where:
Base-Base interactions energy: -285.211
where: short stacking energy: -114.413
Base-Backbone interact. energy: -0.307
local terms energy: -130.877608
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -16.083
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: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -166.730189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.730189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.730189 (E_RNA)
where:
Base-Base interactions energy: -61.396
where: short stacking energy: -40.583
Base-Backbone interact. energy: -1.227
local terms energy: -104.107135
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: 1.173
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: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -167.212388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.212388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.212388 (E_RNA)
where:
Base-Base interactions energy: -57.064
where: short stacking energy: -43.978
Base-Backbone interact. energy: 0.609
local terms energy: -110.757303
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -37.360
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -2.337
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: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -175.117093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.117093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.117093 (E_RNA)
where:
Base-Base interactions energy: -67.371
where: short stacking energy: -45.708
Base-Backbone interact. energy: 1.257
local terms energy: -109.003796
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -32.088
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -7.238
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: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -555.187964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.187964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.187964 (E_RNA)
where:
Base-Base interactions energy: -377.098
where: short stacking energy: -155.556
Base-Backbone interact. energy: -1.594
local terms energy: -176.495362
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -50.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -542.090377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.090377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.090377 (E_RNA)
where:
Base-Base interactions energy: -360.533
where: short stacking energy: -159.128
Base-Backbone interact. energy: -0.507
local terms energy: -181.050445
where:
bonds (distance) C4'-P energy: -39.104
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -45.558
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: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -516.984453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.984453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.984453 (E_RNA)
where:
Base-Base interactions energy: -347.922
where: short stacking energy: -153.600
Base-Backbone interact. energy: -0.487
local terms energy: -168.575239
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -44.363
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -539.424137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.424137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.424137 (E_RNA)
where:
Base-Base interactions energy: -371.389
where: short stacking energy: -157.365
Base-Backbone interact. energy: -0.080
local terms energy: -167.955569
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -44.098
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: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -493.655202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.655202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.655202 (E_RNA)
where:
Base-Base interactions energy: -334.162
where: short stacking energy: -144.836
Base-Backbone interact. energy: -0.095
local terms energy: -159.398342
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -42.057
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: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -433.466543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.466543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.466543 (E_RNA)
where:
Base-Base interactions energy: -279.965
where: short stacking energy: -117.220
Base-Backbone interact. energy: -0.392
local terms energy: -153.109347
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -38.742
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: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -415.656263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.656263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.656263 (E_RNA)
where:
Base-Base interactions energy: -276.141
where: short stacking energy: -109.417
Base-Backbone interact. energy: -0.526
local terms energy: -138.988578
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -33.968
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -28.919
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: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -170.240554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.240554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.240554 (E_RNA)
where:
Base-Base interactions energy: -61.357
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.310
local terms energy: -108.573940
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -27.339
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: 0.410
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: 469
Temperature: 1.300000
Total energy: -153.761017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.761017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.761017 (E_RNA)
where:
Base-Base interactions energy: -49.070
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.621
local terms energy: -104.070426
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -159.499683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.499683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.499683 (E_RNA)
where:
Base-Base interactions energy: -63.760
where: short stacking energy: -57.953
Base-Backbone interact. energy: 1.348
local terms energy: -97.087365
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -557.340241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.340241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.340241 (E_RNA)
where:
Base-Base interactions energy: -383.379
where: short stacking energy: -160.182
Base-Backbone interact. energy: -0.174
local terms energy: -173.787432
where:
bonds (distance) C4'-P energy: -34.205
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -51.226
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: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -541.171526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.171526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.171526 (E_RNA)
where:
Base-Base interactions energy: -363.939
where: short stacking energy: -154.295
Base-Backbone interact. energy: -0.362
local terms energy: -176.870973
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -49.725
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: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -520.496559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.496559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.496559 (E_RNA)
where:
Base-Base interactions energy: -354.738
where: short stacking energy: -156.594
Base-Backbone interact. energy: -0.009
local terms energy: -165.749712
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -45.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -501.340309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.340309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.340309 (E_RNA)
where:
Base-Base interactions energy: -339.065
where: short stacking energy: -140.978
Base-Backbone interact. energy: -0.165
local terms energy: -162.110444
where:
bonds (distance) C4'-P energy: -29.080
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -40.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -449.633480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.633480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.633480 (E_RNA)
where:
Base-Base interactions energy: -300.084
where: short stacking energy: -129.614
Base-Backbone interact. energy: -0.072
local terms energy: -149.476772
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -40.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -484.979655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.979655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.979655 (E_RNA)
where:
Base-Base interactions energy: -328.919
where: short stacking energy: -138.564
Base-Backbone interact. energy: -0.545
local terms energy: -155.516420
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -25.868
tors. eta vs tors. theta energy: -41.602
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: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -440.084281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.084281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.084281 (E_RNA)
where:
Base-Base interactions energy: -295.566
where: short stacking energy: -108.983
Base-Backbone interact. energy: -1.689
local terms energy: -142.829653
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: -35.077
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: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -163.744190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.744190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.744190 (E_RNA)
where:
Base-Base interactions energy: -51.780
where: short stacking energy: -43.389
Base-Backbone interact. energy: -1.058
local terms energy: -110.905287
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -6.748
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: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -165.524653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.524653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.524653 (E_RNA)
where:
Base-Base interactions energy: -71.483
where: short stacking energy: -40.169
Base-Backbone interact. energy: -2.991
local terms energy: -91.050868
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: 11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -137.671815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.671815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.671815 (E_RNA)
where:
Base-Base interactions energy: -52.293
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.618
local terms energy: -84.761177
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: 4.405
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: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -561.633876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.633876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.633876 (E_RNA)
where:
Base-Base interactions energy: -391.867
where: short stacking energy: -164.897
Base-Backbone interact. energy: -0.617
local terms energy: -169.150088
where:
bonds (distance) C4'-P energy: -35.019
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -51.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -542.229032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.229032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.229032 (E_RNA)
where:
Base-Base interactions energy: -376.122
where: short stacking energy: -142.321
Base-Backbone interact. energy: -0.225
local terms energy: -165.881280
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -44.317
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: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -550.321191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.321191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.321191 (E_RNA)
where:
Base-Base interactions energy: -379.689
where: short stacking energy: -164.557
Base-Backbone interact. energy: -0.270
local terms energy: -170.362251
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -50.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -519.960557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.960557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.960557 (E_RNA)
where:
Base-Base interactions energy: -334.871
where: short stacking energy: -151.475
Base-Backbone interact. energy: -0.315
local terms energy: -184.775204
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -51.206
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: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -446.509812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.509812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.509812 (E_RNA)
where:
Base-Base interactions energy: -284.528
where: short stacking energy: -133.757
Base-Backbone interact. energy: -0.145
local terms energy: -161.836993
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -42.861
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: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -452.499929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.499929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.499929 (E_RNA)
where:
Base-Base interactions energy: -314.913
where: short stacking energy: -128.640
Base-Backbone interact. energy: -0.857
local terms energy: -136.729716
where:
bonds (distance) C4'-P energy: -26.710
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -35.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -488.825444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.825444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.825444 (E_RNA)
where:
Base-Base interactions energy: -334.830
where: short stacking energy: -146.835
Base-Backbone interact. energy: -0.242
local terms energy: -153.753162
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -43.978
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: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -192.473393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.473393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.473393 (E_RNA)
where:
Base-Base interactions energy: -77.446
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.446
local terms energy: -114.581322
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -161.133655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.133655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.133655 (E_RNA)
where:
Base-Base interactions energy: -66.089
where: short stacking energy: -61.281
Base-Backbone interact. energy: 1.136
local terms energy: -96.180644
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -3.871
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: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -142.254438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.254438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.254438 (E_RNA)
where:
Base-Base interactions energy: -41.271
where: short stacking energy: -27.796
Base-Backbone interact. energy: 1.392
local terms energy: -102.375366
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -32.988
flat angles C4'-P-C4' energy: -29.473
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: 5.803
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: 472
Temperature: 0.900000
Total energy: -563.965981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.965981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.965981 (E_RNA)
where:
Base-Base interactions energy: -385.750
where: short stacking energy: -161.804
Base-Backbone interact. energy: -0.220
local terms energy: -177.996594
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -35.866
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -48.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -539.611084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.611084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.611084 (E_RNA)
where:
Base-Base interactions energy: -366.363
where: short stacking energy: -155.977
Base-Backbone interact. energy: 0.333
local terms energy: -173.580379
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -45.079
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: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -537.151669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.151669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.151669 (E_RNA)
where:
Base-Base interactions energy: -362.523
where: short stacking energy: -164.541
Base-Backbone interact. energy: -0.321
local terms energy: -174.308310
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -37.433
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -47.211
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -517.057193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.057193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.057193 (E_RNA)
where:
Base-Base interactions energy: -349.839
where: short stacking energy: -158.949
Base-Backbone interact. energy: 1.793
local terms energy: -169.011370
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -31.831
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -49.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -455.689756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.689756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.689756 (E_RNA)
where:
Base-Base interactions energy: -303.383
where: short stacking energy: -142.827
Base-Backbone interact. energy: -0.199
local terms energy: -152.107444
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -45.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -452.589143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.589143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.589143 (E_RNA)
where:
Base-Base interactions energy: -311.962
where: short stacking energy: -138.514
Base-Backbone interact. energy: 3.271
local terms energy: -143.897431
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -38.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -476.977506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.977506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.977506 (E_RNA)
where:
Base-Base interactions energy: -331.592
where: short stacking energy: -129.619
Base-Backbone interact. energy: -1.022
local terms energy: -144.363076
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -40.134
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: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -169.101834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.101834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.101834 (E_RNA)
where:
Base-Base interactions energy: -68.103
where: short stacking energy: -56.079
Base-Backbone interact. energy: -1.400
local terms energy: -99.598528
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -2.863
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: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -215.454485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.454485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.454485 (E_RNA)
where:
Base-Base interactions energy: -107.376
where: short stacking energy: -55.801
Base-Backbone interact. energy: -1.203
local terms energy: -106.875539
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -5.408
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: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -135.555183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.555183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.555183 (E_RNA)
where:
Base-Base interactions energy: -49.144
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.601
local terms energy: -85.810067
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: 5.982
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: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -559.460166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.460166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.460166 (E_RNA)
where:
Base-Base interactions energy: -385.945
where: short stacking energy: -164.504
Base-Backbone interact. energy: -0.465
local terms energy: -173.050095
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -39.570
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -47.644
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: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -539.356256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.356256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.356256 (E_RNA)
where:
Base-Base interactions energy: -361.179
where: short stacking energy: -154.314
Base-Backbone interact. energy: -0.653
local terms energy: -177.524033
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -539.215921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.215921 (E_RNA)
where:
Base-Base interactions energy: -370.597
where: short stacking energy: -166.553
Base-Backbone interact. energy: -0.291
local terms energy: -168.328267
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -502.047813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.047813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.047813 (E_RNA)
where:
Base-Base interactions energy: -345.609
where: short stacking energy: -144.117
Base-Backbone interact. energy: -0.921
local terms energy: -155.517840
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -24.090
flat angles C4'-P-C4' energy: -37.767
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -41.222
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: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -457.913319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.913319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.913319 (E_RNA)
where:
Base-Base interactions energy: -305.593
where: short stacking energy: -126.766
Base-Backbone interact. energy: -0.247
local terms energy: -152.074121
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -39.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -484.924970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.924970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.924970 (E_RNA)
where:
Base-Base interactions energy: -331.812
where: short stacking energy: -132.882
Base-Backbone interact. energy: -0.426
local terms energy: -152.686041
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -43.420
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: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -413.737271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.737271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.737271 (E_RNA)
where:
Base-Base interactions energy: -272.168
where: short stacking energy: -117.227
Base-Backbone interact. energy: -0.340
local terms energy: -141.229798
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -30.448
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: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -250.646689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.646689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.646689 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.525
local terms energy: -111.046677
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -11.787
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: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -180.967046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.967046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.967046 (E_RNA)
where:
Base-Base interactions energy: -89.342
where: short stacking energy: -40.647
Base-Backbone interact. energy: 1.039
local terms energy: -92.663978
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: 3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -145.105642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.105642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.105642 (E_RNA)
where:
Base-Base interactions energy: -65.401
where: short stacking energy: -50.335
Base-Backbone interact. energy: 4.598
local terms energy: -84.302982
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: 2.470
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: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -550.168402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.168402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.168402 (E_RNA)
where:
Base-Base interactions energy: -375.705
where: short stacking energy: -160.167
Base-Backbone interact. energy: -0.908
local terms energy: -173.555050
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -52.148
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: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -547.916564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.916564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.916564 (E_RNA)
where:
Base-Base interactions energy: -366.036
where: short stacking energy: -161.554
Base-Backbone interact. energy: -0.038
local terms energy: -181.842860
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -54.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -520.197809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.197809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.197809 (E_RNA)
where:
Base-Base interactions energy: -352.252
where: short stacking energy: -147.907
Base-Backbone interact. energy: -0.652
local terms energy: -167.293645
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -36.510
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -48.213
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: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -504.445299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.445299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.445299 (E_RNA)
where:
Base-Base interactions energy: -347.413
where: short stacking energy: -148.638
Base-Backbone interact. energy: -0.471
local terms energy: -156.562046
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -32.825
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -43.108
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: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -501.752673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.752673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.752673 (E_RNA)
where:
Base-Base interactions energy: -348.545
where: short stacking energy: -136.420
Base-Backbone interact. energy: -0.788
local terms energy: -152.419235
where:
bonds (distance) C4'-P energy: -36.088
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -35.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -440.979619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.979619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.979619 (E_RNA)
where:
Base-Base interactions energy: -298.921
where: short stacking energy: -136.240
Base-Backbone interact. energy: -0.836
local terms energy: -141.222379
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -40.175
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: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -389.169599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.169599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.169599 (E_RNA)
where:
Base-Base interactions energy: -257.526
where: short stacking energy: -107.771
Base-Backbone interact. energy: -0.322
local terms energy: -131.321437
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -25.718
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: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -195.831662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.831662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.831662 (E_RNA)
where:
Base-Base interactions energy: -94.579
where: short stacking energy: -52.373
Base-Backbone interact. energy: 1.323
local terms energy: -102.576073
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -188.384959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.384959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.384959 (E_RNA)
where:
Base-Base interactions energy: -81.612
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.395
local terms energy: -106.377810
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -12.753
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: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -138.836553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.836553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.836553 (E_RNA)
where:
Base-Base interactions energy: -61.972
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.376
local terms energy: -76.488821
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: 10.406
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: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -554.840285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.840285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.840285 (E_RNA)
where:
Base-Base interactions energy: -387.627
where: short stacking energy: -163.996
Base-Backbone interact. energy: -0.612
local terms energy: -166.600724
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -49.415
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: 475
Temperature: 0.950000
Total energy: -537.453029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.453029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.453029 (E_RNA)
where:
Base-Base interactions energy: -365.936
where: short stacking energy: -152.728
Base-Backbone interact. energy: -1.089
local terms energy: -170.427576
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -23.950
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: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -535.475702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.475702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.475702 (E_RNA)
where:
Base-Base interactions energy: -362.840
where: short stacking energy: -143.474
Base-Backbone interact. energy: 0.789
local terms energy: -173.424330
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -35.190
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -47.753
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: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -519.399840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.399840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.399840 (E_RNA)
where:
Base-Base interactions energy: -354.306
where: short stacking energy: -154.964
Base-Backbone interact. energy: -0.488
local terms energy: -164.606698
where:
bonds (distance) C4'-P energy: -29.032
bonds (distance) P-C4' energy: -30.494
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -44.559
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: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -498.476428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.476428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.476428 (E_RNA)
where:
Base-Base interactions energy: -324.561
where: short stacking energy: -145.332
Base-Backbone interact. energy: -0.516
local terms energy: -173.399854
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: -47.631
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: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -435.402182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.402182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.402182 (E_RNA)
where:
Base-Base interactions energy: -291.688
where: short stacking energy: -126.859
Base-Backbone interact. energy: -0.493
local terms energy: -143.221502
where:
bonds (distance) C4'-P energy: -32.819
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -35.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -388.157807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.157807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.157807 (E_RNA)
where:
Base-Base interactions energy: -257.711
where: short stacking energy: -107.734
Base-Backbone interact. energy: -1.086
local terms energy: -129.360995
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -24.317
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: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -157.918570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.918570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.918570 (E_RNA)
where:
Base-Base interactions energy: -59.388
where: short stacking energy: -51.710
Base-Backbone interact. energy: -1.128
local terms energy: -97.402431
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -3.460
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: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -158.241577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.241577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.241577 (E_RNA)
where:
Base-Base interactions energy: -60.599
where: short stacking energy: -50.161
Base-Backbone interact. energy: 4.420
local terms energy: -102.061857
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: 1.098
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: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -146.195994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.195994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.195994 (E_RNA)
where:
Base-Base interactions energy: -43.289
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.303
local terms energy: -102.603660
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: 3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -554.031963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.031963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.031963 (E_RNA)
where:
Base-Base interactions energy: -381.113
where: short stacking energy: -157.995
Base-Backbone interact. energy: 0.424
local terms energy: -173.342355
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -53.164
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: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -536.264513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.264513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.264513 (E_RNA)
where:
Base-Base interactions energy: -370.661
where: short stacking energy: -152.666
Base-Backbone interact. energy: -0.496
local terms energy: -165.107897
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -42.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -529.760130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.760130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.760130 (E_RNA)
where:
Base-Base interactions energy: -360.151
where: short stacking energy: -153.536
Base-Backbone interact. energy: -1.135
local terms energy: -168.473984
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -44.453
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: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -517.011973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.011973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.011973 (E_RNA)
where:
Base-Base interactions energy: -361.102
where: short stacking energy: -142.152
Base-Backbone interact. energy: -0.027
local terms energy: -155.883300
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -28.537
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -44.425
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: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -495.297116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.297116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.297116 (E_RNA)
where:
Base-Base interactions energy: -324.985
where: short stacking energy: -136.987
Base-Backbone interact. energy: 3.009
local terms energy: -173.320593
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -45.254
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: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -444.920306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.920306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.920306 (E_RNA)
where:
Base-Base interactions energy: -293.304
where: short stacking energy: -118.053
Base-Backbone interact. energy: -0.178
local terms energy: -151.438878
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -35.089
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -366.692632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.692632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.692632 (E_RNA)
where:
Base-Base interactions energy: -240.597
where: short stacking energy: -101.661
Base-Backbone interact. energy: 0.550
local terms energy: -126.646196
where:
bonds (distance) C4'-P energy: -24.190
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -180.956493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.956493 (E_RNA)
where:
Base-Base interactions energy: -63.088
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.748
local terms energy: -117.120212
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -12.905
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: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -146.948795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.948795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.948795 (E_RNA)
where:
Base-Base interactions energy: -52.685
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.299
local terms energy: -93.964045
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: 0.345
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: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -157.178963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.178963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.178963 (E_RNA)
where:
Base-Base interactions energy: -55.265
where: short stacking energy: -48.613
Base-Backbone interact. energy: -0.342
local terms energy: -101.572759
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -10.114
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: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -551.273990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.273990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.273990 (E_RNA)
where:
Base-Base interactions energy: -366.825
where: short stacking energy: -175.889
Base-Backbone interact. energy: -0.582
local terms energy: -183.867044
where:
bonds (distance) C4'-P energy: -32.859
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -39.936
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -48.535
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: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -548.436939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.436939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.436939 (E_RNA)
where:
Base-Base interactions energy: -369.077
where: short stacking energy: -156.400
Base-Backbone interact. energy: -0.377
local terms energy: -178.983258
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -39.519
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -55.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -522.334766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.334766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.334766 (E_RNA)
where:
Base-Base interactions energy: -359.481
where: short stacking energy: -141.869
Base-Backbone interact. energy: -0.257
local terms energy: -162.596351
where:
bonds (distance) C4'-P energy: -33.914
bonds (distance) P-C4' energy: -29.511
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -43.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -518.089609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.089609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.089609 (E_RNA)
where:
Base-Base interactions energy: -354.831
where: short stacking energy: -151.655
Base-Backbone interact. energy: -1.238
local terms energy: -162.020417
where:
bonds (distance) C4'-P energy: -28.061
bonds (distance) P-C4' energy: -31.748
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -23.513
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: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -503.868189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.868189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.868189 (E_RNA)
where:
Base-Base interactions energy: -342.512
where: short stacking energy: -141.805
Base-Backbone interact. energy: -1.652
local terms energy: -159.704210
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -37.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -393.084549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.084549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.084549 (E_RNA)
where:
Base-Base interactions energy: -253.140
where: short stacking energy: -121.824
Base-Backbone interact. energy: -0.835
local terms energy: -139.109626
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -30.485
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -29.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -427.835030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.835030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.835030 (E_RNA)
where:
Base-Base interactions energy: -290.556
where: short stacking energy: -121.625
Base-Backbone interact. energy: 0.275
local terms energy: -137.554098
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -40.832
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: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -158.343019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.343019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343019 (E_RNA)
where:
Base-Base interactions energy: -52.966
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.337
local terms energy: -105.040451
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -35.622
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: 1.136
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: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -163.398789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.398789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.398789 (E_RNA)
where:
Base-Base interactions energy: -56.306
where: short stacking energy: -49.961
Base-Backbone interact. energy: 0.535
local terms energy: -107.627413
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -16.133
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -140.195014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.195014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.195014 (E_RNA)
where:
Base-Base interactions energy: -59.440
where: short stacking energy: -51.617
Base-Backbone interact. energy: -1.376
local terms energy: -79.379380
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -545.073861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.073861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.073861 (E_RNA)
where:
Base-Base interactions energy: -364.177
where: short stacking energy: -153.968
Base-Backbone interact. energy: -0.213
local terms energy: -180.684674
where:
bonds (distance) C4'-P energy: -31.664
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -52.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -531.322710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.322710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.322710 (E_RNA)
where:
Base-Base interactions energy: -363.979
where: short stacking energy: -160.857
Base-Backbone interact. energy: -0.029
local terms energy: -167.314692
where:
bonds (distance) C4'-P energy: -28.963
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -34.213
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -49.284
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -514.360097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.360097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.360097 (E_RNA)
where:
Base-Base interactions energy: -346.173
where: short stacking energy: -146.166
Base-Backbone interact. energy: -0.626
local terms energy: -167.561000
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -41.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -517.033536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.033536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.033536 (E_RNA)
where:
Base-Base interactions energy: -351.596
where: short stacking energy: -155.677
Base-Backbone interact. energy: -0.719
local terms energy: -164.718919
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -44.287
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: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -518.960687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.960687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.960687 (E_RNA)
where:
Base-Base interactions energy: -356.666
where: short stacking energy: -160.287
Base-Backbone interact. energy: -0.710
local terms energy: -161.585598
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -32.330
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -49.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -400.633657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.633657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.633657 (E_RNA)
where:
Base-Base interactions energy: -255.457
where: short stacking energy: -122.744
Base-Backbone interact. energy: -0.599
local terms energy: -144.578138
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -34.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -405.669806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.669806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.669806 (E_RNA)
where:
Base-Base interactions energy: -271.828
where: short stacking energy: -107.932
Base-Backbone interact. energy: 0.788
local terms energy: -134.630505
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -28.802
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: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -166.510434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.510434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.510434 (E_RNA)
where:
Base-Base interactions energy: -63.000
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.004
local terms energy: -103.506309
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -29.436
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: 1.210
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: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -159.799086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.799086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.799086 (E_RNA)
where:
Base-Base interactions energy: -70.683
where: short stacking energy: -43.367
Base-Backbone interact. energy: 2.573
local terms energy: -91.689707
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: 4.892
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: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -146.704675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.704675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.704675 (E_RNA)
where:
Base-Base interactions energy: -52.821
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.439
local terms energy: -93.444176
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -3.536
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: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -540.374555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.374555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.374555 (E_RNA)
where:
Base-Base interactions energy: -366.379
where: short stacking energy: -162.795
Base-Backbone interact. energy: -0.594
local terms energy: -173.402230
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -32.294
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -49.826
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: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -531.598935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.598935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.598935 (E_RNA)
where:
Base-Base interactions energy: -354.858
where: short stacking energy: -158.292
Base-Backbone interact. energy: -0.405
local terms energy: -176.336086
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -44.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -505.602053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.602053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.602053 (E_RNA)
where:
Base-Base interactions energy: -341.035
where: short stacking energy: -146.005
Base-Backbone interact. energy: -0.295
local terms energy: -164.272576
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -43.295
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: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -526.016222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.016222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.016222 (E_RNA)
where:
Base-Base interactions energy: -354.828
where: short stacking energy: -163.247
Base-Backbone interact. energy: -0.251
local terms energy: -170.937331
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -50.071
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: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -507.817203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.817203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.817203 (E_RNA)
where:
Base-Base interactions energy: -348.703
where: short stacking energy: -143.901
Base-Backbone interact. energy: -0.094
local terms energy: -159.019358
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -31.018
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: -47.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -423.070882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.070882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.070882 (E_RNA)
where:
Base-Base interactions energy: -278.826
where: short stacking energy: -131.795
Base-Backbone interact. energy: 0.423
local terms energy: -144.668068
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -38.066
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: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -392.437382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.437382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.437382 (E_RNA)
where:
Base-Base interactions energy: -254.346
where: short stacking energy: -107.797
Base-Backbone interact. energy: -2.075
local terms energy: -136.017127
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -31.397
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: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -172.198250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.198250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.198250 (E_RNA)
where:
Base-Base interactions energy: -78.489
where: short stacking energy: -51.102
Base-Backbone interact. energy: 2.800
local terms energy: -96.509107
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -34.727
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -20.338
tors. eta vs tors. theta energy: -1.596
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: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -155.416097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.416097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.416097 (E_RNA)
where:
Base-Base interactions energy: -58.148
where: short stacking energy: -48.044
Base-Backbone interact. energy: -0.713
local terms energy: -96.555030
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -5.603
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: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -187.546554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.546554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.546554 (E_RNA)
where:
Base-Base interactions energy: -91.213
where: short stacking energy: -51.359
Base-Backbone interact. energy: -1.117
local terms energy: -95.215946
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: 2.194
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: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -552.540203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.540203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.540203 (E_RNA)
where:
Base-Base interactions energy: -370.910
where: short stacking energy: -164.319
Base-Backbone interact. energy: -0.022
local terms energy: -181.607600
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -36.905
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -51.369
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: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -539.826376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.826376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.826376 (E_RNA)
where:
Base-Base interactions energy: -362.246
where: short stacking energy: -155.069
Base-Backbone interact. energy: -0.469
local terms energy: -177.111613
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -29.057
tors. eta vs tors. theta energy: -47.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -527.776577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.776577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.776577 (E_RNA)
where:
Base-Base interactions energy: -359.385
where: short stacking energy: -160.796
Base-Backbone interact. energy: -0.297
local terms energy: -168.094525
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -38.280
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -47.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -524.457371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.457371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.457371 (E_RNA)
where:
Base-Base interactions energy: -358.399
where: short stacking energy: -157.343
Base-Backbone interact. energy: -0.095
local terms energy: -165.963126
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -42.334
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: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -489.658118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.658118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.658118 (E_RNA)
where:
Base-Base interactions energy: -315.238
where: short stacking energy: -127.861
Base-Backbone interact. energy: -0.575
local terms energy: -173.845349
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -33.798
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -409.869076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.869076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.869076 (E_RNA)
where:
Base-Base interactions energy: -274.590
where: short stacking energy: -107.693
Base-Backbone interact. energy: 1.566
local terms energy: -136.845450
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -19.119
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: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -348.364742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.364742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.364742 (E_RNA)
where:
Base-Base interactions energy: -218.536
where: short stacking energy: -102.923
Base-Backbone interact. energy: -0.316
local terms energy: -129.512397
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -174.526997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.526997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.526997 (E_RNA)
where:
Base-Base interactions energy: -66.312
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.780
local terms energy: -107.434229
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -6.463
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: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -190.361581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.361581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.361581 (E_RNA)
where:
Base-Base interactions energy: -85.598
where: short stacking energy: -46.835
Base-Backbone interact. energy: 0.908
local terms energy: -105.672371
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: 0.359
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -141.196382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.196382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.196382 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -43.389
Base-Backbone interact. energy: 0.089
local terms energy: -95.146175
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -0.327
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: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -533.873851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.873851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.873851 (E_RNA)
where:
Base-Base interactions energy: -357.503
where: short stacking energy: -148.176
Base-Backbone interact. energy: -0.182
local terms energy: -176.189039
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: -46.488
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: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -538.884136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.884136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.884136 (E_RNA)
where:
Base-Base interactions energy: -364.850
where: short stacking energy: -156.009
Base-Backbone interact. energy: -0.059
local terms energy: -173.974819
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -19.699
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: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -511.811353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.811353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.811353 (E_RNA)
where:
Base-Base interactions energy: -344.996
where: short stacking energy: -156.266
Base-Backbone interact. energy: -0.011
local terms energy: -166.804902
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -48.572
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -507.047582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.047582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.047582 (E_RNA)
where:
Base-Base interactions energy: -350.213
where: short stacking energy: -150.271
Base-Backbone interact. energy: -0.185
local terms energy: -156.649430
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -38.723
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: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -485.926623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.926623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.926623 (E_RNA)
where:
Base-Base interactions energy: -332.881
where: short stacking energy: -143.478
Base-Backbone interact. energy: -0.706
local terms energy: -152.339444
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -34.106
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -36.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -424.645999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.645999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.645999 (E_RNA)
where:
Base-Base interactions energy: -287.254
where: short stacking energy: -114.439
Base-Backbone interact. energy: -0.551
local terms energy: -136.840388
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -26.237
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: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -341.952532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.952532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.952532 (E_RNA)
where:
Base-Base interactions energy: -218.982
where: short stacking energy: -117.290
Base-Backbone interact. energy: -0.605
local terms energy: -122.366099
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -30.040
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -178.681940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.681940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.681940 (E_RNA)
where:
Base-Base interactions energy: -74.164
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.955
local terms energy: -103.563194
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -0.593
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: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -144.720902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.720902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.720902 (E_RNA)
where:
Base-Base interactions energy: -49.048
where: short stacking energy: -37.320
Base-Backbone interact. energy: 0.044
local terms energy: -95.716432
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -150.853553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.853553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.853553 (E_RNA)
where:
Base-Base interactions energy: -53.325
where: short stacking energy: -48.240
Base-Backbone interact. energy: -0.118
local terms energy: -97.410099
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -0.888
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: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -546.437515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.437515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.437515 (E_RNA)
where:
Base-Base interactions energy: -365.853
where: short stacking energy: -166.269
Base-Backbone interact. energy: -0.162
local terms energy: -180.422004
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -38.735
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: -49.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -536.897414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.897414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.897414 (E_RNA)
where:
Base-Base interactions energy: -360.524
where: short stacking energy: -157.364
Base-Backbone interact. energy: -0.984
local terms energy: -175.389458
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -45.006
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: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -524.946105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.946105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.946105 (E_RNA)
where:
Base-Base interactions energy: -349.362
where: short stacking energy: -149.893
Base-Backbone interact. energy: -1.329
local terms energy: -174.255408
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -30.610
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -45.448
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: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -515.469881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.469881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.469881 (E_RNA)
where:
Base-Base interactions energy: -338.715
where: short stacking energy: -152.810
Base-Backbone interact. energy: -1.137
local terms energy: -175.618003
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -48.797
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: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -525.979497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.979497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.979497 (E_RNA)
where:
Base-Base interactions energy: -356.911
where: short stacking energy: -149.543
Base-Backbone interact. energy: 1.464
local terms energy: -170.531845
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -33.471
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -49.173
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: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -416.070397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.070397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.070397 (E_RNA)
where:
Base-Base interactions energy: -270.990
where: short stacking energy: -120.470
Base-Backbone interact. energy: 2.468
local terms energy: -147.548809
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -32.172
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: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -323.043742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.043742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.043742 (E_RNA)
where:
Base-Base interactions energy: -200.047
where: short stacking energy: -104.159
Base-Backbone interact. energy: -0.245
local terms energy: -122.751470
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -181.498255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.498255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.498255 (E_RNA)
where:
Base-Base interactions energy: -86.202
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.454
local terms energy: -94.842448
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -30.935
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -6.498
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: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -155.152229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.152229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.152229 (E_RNA)
where:
Base-Base interactions energy: -63.175
where: short stacking energy: -59.345
Base-Backbone interact. energy: 1.228
local terms energy: -93.205633
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -8.538
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: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -144.842275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.842275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.842275 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.352
local terms energy: -92.205034
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -6.301
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: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -549.604118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.604118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.604118 (E_RNA)
where:
Base-Base interactions energy: -371.936
where: short stacking energy: -165.440
Base-Backbone interact. energy: -0.089
local terms energy: -177.578840
where:
bonds (distance) C4'-P energy: -35.516
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -38.484
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -48.973
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: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -543.695984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.695984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.695984 (E_RNA)
where:
Base-Base interactions energy: -380.519
where: short stacking energy: -153.641
Base-Backbone interact. energy: -0.462
local terms energy: -162.714519
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -41.784
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: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -530.933285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.933285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.933285 (E_RNA)
where:
Base-Base interactions energy: -370.421
where: short stacking energy: -150.740
Base-Backbone interact. energy: -0.763
local terms energy: -159.749018
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -44.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -499.944022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.944022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.944022 (E_RNA)
where:
Base-Base interactions energy: -328.961
where: short stacking energy: -139.651
Base-Backbone interact. energy: -0.509
local terms energy: -170.474723
where:
bonds (distance) C4'-P energy: -32.026
bonds (distance) P-C4' energy: -36.650
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -42.294
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: 483
Temperature: 1.100000
Total energy: -508.580261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.580261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.580261 (E_RNA)
where:
Base-Base interactions energy: -354.066
where: short stacking energy: -146.297
Base-Backbone interact. energy: -0.085
local terms energy: -154.429188
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -39.404
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: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -439.445510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.445510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.445510 (E_RNA)
where:
Base-Base interactions energy: -296.359
where: short stacking energy: -117.810
Base-Backbone interact. energy: 1.847
local terms energy: -144.933453
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -33.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -351.522813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.522813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.522813 (E_RNA)
where:
Base-Base interactions energy: -226.464
where: short stacking energy: -95.888
Base-Backbone interact. energy: -0.295
local terms energy: -124.763607
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -25.124
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: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -208.040576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.040576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.040576 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -60.827
Base-Backbone interact. energy: 1.592
local terms energy: -103.340580
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -6.363
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: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -158.880536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.880536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.880536 (E_RNA)
where:
Base-Base interactions energy: -61.851
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.265
local terms energy: -96.764911
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -5.094
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: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -155.515212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.515212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.515212 (E_RNA)
where:
Base-Base interactions energy: -56.274
where: short stacking energy: -41.885
Base-Backbone interact. energy: -0.870
local terms energy: -98.371613
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -7.043
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: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -545.141226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.141226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.141226 (E_RNA)
where:
Base-Base interactions energy: -371.089
where: short stacking energy: -165.758
Base-Backbone interact. energy: -0.490
local terms energy: -173.562425
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -51.315
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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -538.141950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.141950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.141950 (E_RNA)
where:
Base-Base interactions energy: -374.686
where: short stacking energy: -140.311
Base-Backbone interact. energy: -0.385
local terms energy: -163.071240
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -39.956
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: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -515.891482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.891482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.891482 (E_RNA)
where:
Base-Base interactions energy: -338.159
where: short stacking energy: -159.023
Base-Backbone interact. energy: -0.245
local terms energy: -177.487569
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -53.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -523.539164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.539164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.539164 (E_RNA)
where:
Base-Base interactions energy: -359.873
where: short stacking energy: -145.700
Base-Backbone interact. energy: -0.056
local terms energy: -163.609813
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -47.735
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: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -499.960801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.960801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.960801 (E_RNA)
where:
Base-Base interactions energy: -341.734
where: short stacking energy: -138.929
Base-Backbone interact. energy: -0.480
local terms energy: -157.747694
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -40.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -432.583770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.583770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.583770 (E_RNA)
where:
Base-Base interactions energy: -291.259
where: short stacking energy: -123.241
Base-Backbone interact. energy: -0.110
local terms energy: -141.214994
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -38.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -218.672844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672844 (E_RNA)
where:
Base-Base interactions energy: -98.762
where: short stacking energy: -62.302
Base-Backbone interact. energy: 0.744
local terms energy: -120.654874
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -34.100
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -4.183
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: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -358.887686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.887686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.887686 (E_RNA)
where:
Base-Base interactions energy: -226.091
where: short stacking energy: -104.487
Base-Backbone interact. energy: -0.573
local terms energy: -132.222804
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -23.398
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: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -142.562947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.562947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.562947 (E_RNA)
where:
Base-Base interactions energy: -48.628
where: short stacking energy: -42.411
Base-Backbone interact. energy: 0.052
local terms energy: -93.987422
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -33.308
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: 4.123
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: 484
Temperature: 1.350000
Total energy: -167.723041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.723041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.723041 (E_RNA)
where:
Base-Base interactions energy: -56.816
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.556
local terms energy: -110.350820
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: 1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -550.862186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.862186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.862186 (E_RNA)
where:
Base-Base interactions energy: -378.619
where: short stacking energy: -163.219
Base-Backbone interact. energy: -0.284
local terms energy: -171.960086
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -43.780
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: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -514.117107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.117107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.117107 (E_RNA)
where:
Base-Base interactions energy: -344.215
where: short stacking energy: -155.148
Base-Backbone interact. energy: -0.141
local terms energy: -169.761518
where:
bonds (distance) C4'-P energy: -35.530
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -52.301
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: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -524.113574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.113574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.113574 (E_RNA)
where:
Base-Base interactions energy: -358.153
where: short stacking energy: -148.641
Base-Backbone interact. energy: -0.789
local terms energy: -165.171618
where:
bonds (distance) C4'-P energy: -29.040
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -31.001
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -509.426084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.426084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.426084 (E_RNA)
where:
Base-Base interactions energy: -349.148
where: short stacking energy: -137.849
Base-Backbone interact. energy: -0.325
local terms energy: -159.953531
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -28.227
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -41.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -496.169278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.169278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.169278 (E_RNA)
where:
Base-Base interactions energy: -331.673
where: short stacking energy: -144.627
Base-Backbone interact. energy: -1.037
local terms energy: -163.459498
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -39.999
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: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -443.770370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.770370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.770370 (E_RNA)
where:
Base-Base interactions energy: -305.829
where: short stacking energy: -117.335
Base-Backbone interact. energy: -0.620
local terms energy: -137.321195
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -30.980
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: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -217.621555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621555 (E_RNA)
where:
Base-Base interactions energy: -108.126
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.272
local terms energy: -109.223885
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -10.321
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: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -349.690103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.690103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.690103 (E_RNA)
where:
Base-Base interactions energy: -217.849
where: short stacking energy: -96.416
Base-Backbone interact. energy: 0.336
local terms energy: -132.176371
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -24.174
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: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -162.551629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.551629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.551629 (E_RNA)
where:
Base-Base interactions energy: -81.987
where: short stacking energy: -50.952
Base-Backbone interact. energy: -1.632
local terms energy: -78.932762
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -2.145
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: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -138.440040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.440040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.440040 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.049
local terms energy: -96.184740
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -0.884
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: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -549.404037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.404037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.404037 (E_RNA)
where:
Base-Base interactions energy: -369.573
where: short stacking energy: -156.601
Base-Backbone interact. energy: 0.462
local terms energy: -180.293152
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -38.567
flat angles C4'-P-C4' energy: -37.528
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -48.596
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -521.863162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.863162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.863162 (E_RNA)
where:
Base-Base interactions energy: -347.712
where: short stacking energy: -159.226
Base-Backbone interact. energy: -1.195
local terms energy: -172.956065
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -29.665
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -551.953499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.953499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.953499 (E_RNA)
where:
Base-Base interactions energy: -381.835
where: short stacking energy: -157.759
Base-Backbone interact. energy: -1.107
local terms energy: -169.011278
where:
bonds (distance) C4'-P energy: -29.538
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -46.709
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: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -514.148770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.148770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.148770 (E_RNA)
where:
Base-Base interactions energy: -352.476
where: short stacking energy: -138.199
Base-Backbone interact. energy: 0.047
local terms energy: -161.720242
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -41.189
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: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -538.538537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.538537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.538537 (E_RNA)
where:
Base-Base interactions energy: -381.095
where: short stacking energy: -154.669
Base-Backbone interact. energy: 0.650
local terms energy: -158.093673
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -44.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -432.489394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.489394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.489394 (E_RNA)
where:
Base-Base interactions energy: -291.309
where: short stacking energy: -123.134
Base-Backbone interact. energy: -0.385
local terms energy: -140.795375
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -33.698
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: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -351.426623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.426623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.426623 (E_RNA)
where:
Base-Base interactions energy: -227.254
where: short stacking energy: -111.898
Base-Backbone interact. energy: -0.134
local terms energy: -124.038697
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -29.182
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: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -303.806448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.806448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.806448 (E_RNA)
where:
Base-Base interactions energy: -183.241
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.588
local terms energy: -119.977821
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -14.949
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: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -154.430414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.430414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.430414 (E_RNA)
where:
Base-Base interactions energy: -47.428
where: short stacking energy: -44.492
Base-Backbone interact. energy: -0.967
local terms energy: -106.035532
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -158.683538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.683538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.683538 (E_RNA)
where:
Base-Base interactions energy: -62.186
where: short stacking energy: -57.230
Base-Backbone interact. energy: -1.131
local terms energy: -95.365703
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -27.405
flat angles P-C4'-P energy: -0.034
tors. eta vs tors. theta energy: -8.859
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: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -556.841439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.841439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.841439 (E_RNA)
where:
Base-Base interactions energy: -380.988
where: short stacking energy: -162.749
Base-Backbone interact. energy: -0.103
local terms energy: -175.750204
where:
bonds (distance) C4'-P energy: -35.974
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -47.213
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: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -526.369771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.369771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.369771 (E_RNA)
where:
Base-Base interactions energy: -353.249
where: short stacking energy: -144.913
Base-Backbone interact. energy: 0.763
local terms energy: -173.883882
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -43.308
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: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -530.928356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.928356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.928356 (E_RNA)
where:
Base-Base interactions energy: -363.832
where: short stacking energy: -159.721
Base-Backbone interact. energy: 0.061
local terms energy: -167.157372
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -46.083
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: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -519.548431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.548431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.548431 (E_RNA)
where:
Base-Base interactions energy: -346.264
where: short stacking energy: -146.665
Base-Backbone interact. energy: -0.065
local terms energy: -173.219859
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -46.446
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: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -490.752198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.752198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.752198 (E_RNA)
where:
Base-Base interactions energy: -325.875
where: short stacking energy: -138.886
Base-Backbone interact. energy: -0.092
local terms energy: -164.784887
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -42.345
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: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -429.277312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.277312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.277312 (E_RNA)
where:
Base-Base interactions energy: -297.518
where: short stacking energy: -117.612
Base-Backbone interact. energy: -0.065
local terms energy: -131.693680
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -30.756
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: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -379.898480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.898480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.898480 (E_RNA)
where:
Base-Base interactions energy: -243.967
where: short stacking energy: -109.623
Base-Backbone interact. energy: -0.963
local terms energy: -134.968065
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -31.660
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: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -271.742931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.742931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.742931 (E_RNA)
where:
Base-Base interactions energy: -154.999
where: short stacking energy: -80.412
Base-Backbone interact. energy: -0.546
local terms energy: -116.197348
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -10.088
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: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -165.496648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.496648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.496648 (E_RNA)
where:
Base-Base interactions energy: -64.378
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.799
local terms energy: -100.319853
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -3.016
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: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -137.885839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.885839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.885839 (E_RNA)
where:
Base-Base interactions energy: -49.892
where: short stacking energy: -45.385
Base-Backbone interact. energy: -1.883
local terms energy: -86.110766
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -1.541
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: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -549.336481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.336481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.336481 (E_RNA)
where:
Base-Base interactions energy: -374.300
where: short stacking energy: -154.088
Base-Backbone interact. energy: 1.123
local terms energy: -176.159721
where:
bonds (distance) C4'-P energy: -35.457
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -34.570
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -49.239
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: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -540.494557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.494557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.494557 (E_RNA)
where:
Base-Base interactions energy: -363.628
where: short stacking energy: -150.559
Base-Backbone interact. energy: -0.302
local terms energy: -176.564412
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -36.474
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -51.102
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: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -528.808517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.808517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.808517 (E_RNA)
where:
Base-Base interactions energy: -356.128
where: short stacking energy: -148.578
Base-Backbone interact. energy: -0.289
local terms energy: -172.392088
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -32.752
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -47.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -516.981151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.981151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.981151 (E_RNA)
where:
Base-Base interactions energy: -348.123
where: short stacking energy: -145.349
Base-Backbone interact. energy: -0.712
local terms energy: -168.146390
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -32.683
flat angles C4'-P-C4' energy: -38.989
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -44.500
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: 488
Temperature: 1.100000
Total energy: -498.683323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.683323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.683323 (E_RNA)
where:
Base-Base interactions energy: -331.824
where: short stacking energy: -140.181
Base-Backbone interact. energy: -0.604
local terms energy: -166.255076
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -46.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -434.229701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.229701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.229701 (E_RNA)
where:
Base-Base interactions energy: -301.804
where: short stacking energy: -120.613
Base-Backbone interact. energy: 1.164
local terms energy: -133.590425
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -27.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -381.390062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.390062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.390062 (E_RNA)
where:
Base-Base interactions energy: -239.830
where: short stacking energy: -110.878
Base-Backbone interact. energy: -0.524
local terms energy: -141.036208
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -28.755
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: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -224.007530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.007530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.007530 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.475
local terms energy: -99.205619
where:
bonds (distance) C4'-P energy: -28.516
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -4.732
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: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -169.733674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.733674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.733674 (E_RNA)
where:
Base-Base interactions energy: -66.387
where: short stacking energy: -47.884
Base-Backbone interact. energy: -0.247
local terms energy: -103.099463
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -7.716
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: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -137.946492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.946492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.946492 (E_RNA)
where:
Base-Base interactions energy: -44.478
where: short stacking energy: -39.995
Base-Backbone interact. energy: 2.091
local terms energy: -95.559990
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -3.886
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: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -554.927038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.927038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.927038 (E_RNA)
where:
Base-Base interactions energy: -385.139
where: short stacking energy: -151.369
Base-Backbone interact. energy: -0.177
local terms energy: -169.611300
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -21.965
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: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -547.370246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.370246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.370246 (E_RNA)
where:
Base-Base interactions energy: -368.459
where: short stacking energy: -165.027
Base-Backbone interact. energy: -0.433
local terms energy: -178.478172
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -54.253
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: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -528.896295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.896295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.896295 (E_RNA)
where:
Base-Base interactions energy: -353.754
where: short stacking energy: -156.198
Base-Backbone interact. energy: -0.083
local terms energy: -175.059328
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -34.208
flat angles C4'-P-C4' energy: -33.855
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -50.861
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: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -526.556684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.556684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.556684 (E_RNA)
where:
Base-Base interactions energy: -357.137
where: short stacking energy: -158.767
Base-Backbone interact. energy: -0.863
local terms energy: -168.556645
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -20.549
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: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -497.447829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.447829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.447829 (E_RNA)
where:
Base-Base interactions energy: -332.273
where: short stacking energy: -150.470
Base-Backbone interact. energy: -0.768
local terms energy: -164.406008
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -45.478
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: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -374.940307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.940307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.940307 (E_RNA)
where:
Base-Base interactions energy: -237.374
where: short stacking energy: -104.052
Base-Backbone interact. energy: -0.649
local terms energy: -136.917422
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -31.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -410.511454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.511454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.511454 (E_RNA)
where:
Base-Base interactions energy: -261.730
where: short stacking energy: -109.501
Base-Backbone interact. energy: 0.528
local terms energy: -149.310311
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -27.941
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -38.794
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: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -222.016155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.016155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.016155 (E_RNA)
where:
Base-Base interactions energy: -124.983
where: short stacking energy: -69.360
Base-Backbone interact. energy: 0.886
local terms energy: -97.918550
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -9.954
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: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -170.842852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.842852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.842852 (E_RNA)
where:
Base-Base interactions energy: -60.566
where: short stacking energy: -50.044
Base-Backbone interact. energy: 0.467
local terms energy: -110.744031
where:
bonds (distance) C4'-P energy: -37.656
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -142.857792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.857792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.857792 (E_RNA)
where:
Base-Base interactions energy: -60.332
where: short stacking energy: -33.172
Base-Backbone interact. energy: 0.975
local terms energy: -83.500483
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -14.990
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: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -558.299399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.299399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.299399 (E_RNA)
where:
Base-Base interactions energy: -366.529
where: short stacking energy: -160.778
Base-Backbone interact. energy: -0.233
local terms energy: -191.537260
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -56.015
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: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -544.306399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.306399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.306399 (E_RNA)
where:
Base-Base interactions energy: -370.880
where: short stacking energy: -158.274
Base-Backbone interact. energy: -0.546
local terms energy: -172.880342
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -37.214
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -45.488
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: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -543.357670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.357670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.357670 (E_RNA)
where:
Base-Base interactions energy: -361.491
where: short stacking energy: -159.638
Base-Backbone interact. energy: 0.603
local terms energy: -182.469722
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -29.860
tors. eta vs tors. theta energy: -47.934
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: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -543.226490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.226490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.226490 (E_RNA)
where:
Base-Base interactions energy: -375.911
where: short stacking energy: -161.878
Base-Backbone interact. energy: -0.087
local terms energy: -167.228497
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -51.562
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -495.605982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.605982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.605982 (E_RNA)
where:
Base-Base interactions energy: -329.619
where: short stacking energy: -135.429
Base-Backbone interact. energy: 0.137
local terms energy: -166.123466
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -43.991
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: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -394.931940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.931940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.931940 (E_RNA)
where:
Base-Base interactions energy: -252.256
where: short stacking energy: -114.037
Base-Backbone interact. energy: 0.666
local terms energy: -143.342184
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -37.037
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -32.775
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: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -415.664320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.664320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.664320 (E_RNA)
where:
Base-Base interactions energy: -279.414
where: short stacking energy: -113.683
Base-Backbone interact. energy: -0.794
local terms energy: -135.456167
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -29.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -217.336385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.336385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.336385 (E_RNA)
where:
Base-Base interactions energy: -105.356
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.275
local terms energy: -111.706068
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -151.752521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.752521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.752521 (E_RNA)
where:
Base-Base interactions energy: -46.981
where: short stacking energy: -46.335
Base-Backbone interact. energy: -0.285
local terms energy: -104.487124
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -6.015
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: 490
Temperature: 1.350000
Total energy: -152.546931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.546931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.546931 (E_RNA)
where:
Base-Base interactions energy: -48.705
where: short stacking energy: -46.720
Base-Backbone interact. energy: 1.462
local terms energy: -105.304630
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -6.499
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: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -553.598144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.598144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.598144 (E_RNA)
where:
Base-Base interactions energy: -373.071
where: short stacking energy: -148.648
Base-Backbone interact. energy: 0.047
local terms energy: -180.574618
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -37.765
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -50.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -547.261831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.261831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.261831 (E_RNA)
where:
Base-Base interactions energy: -379.034
where: short stacking energy: -160.010
Base-Backbone interact. energy: -0.009
local terms energy: -168.218591
where:
bonds (distance) C4'-P energy: -30.010
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -48.920
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: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -545.013145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.013145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.013145 (E_RNA)
where:
Base-Base interactions energy: -371.233
where: short stacking energy: -155.566
Base-Backbone interact. energy: -0.266
local terms energy: -173.514488
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -47.262
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: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -524.105743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.105743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.105743 (E_RNA)
where:
Base-Base interactions energy: -359.579
where: short stacking energy: -158.431
Base-Backbone interact. energy: -0.998
local terms energy: -163.528719
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -34.997
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -43.319
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: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -501.979724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.979724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.979724 (E_RNA)
where:
Base-Base interactions energy: -337.343
where: short stacking energy: -146.732
Base-Backbone interact. energy: -0.036
local terms energy: -164.600783
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -50.175
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: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -473.789474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.789474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.789474 (E_RNA)
where:
Base-Base interactions energy: -320.600
where: short stacking energy: -132.191
Base-Backbone interact. energy: -0.173
local terms energy: -153.016284
where:
bonds (distance) C4'-P energy: -28.888
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -31.808
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -39.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -373.294971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.294971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.294971 (E_RNA)
where:
Base-Base interactions energy: -239.619
where: short stacking energy: -111.489
Base-Backbone interact. energy: -0.765
local terms energy: -132.911620
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -226.366116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.366116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.366116 (E_RNA)
where:
Base-Base interactions energy: -133.424
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.575
local terms energy: -92.367154
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -3.486
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: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -153.780564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.780564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.780564 (E_RNA)
where:
Base-Base interactions energy: -52.913
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.344
local terms energy: -100.523467
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -8.026
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: 491
Temperature: 1.350000
Total energy: -136.492558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.492558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.492558 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -34.672
Base-Backbone interact. energy: 1.091
local terms energy: -98.734589
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: 4.326
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -542.502425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.502425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.502425 (E_RNA)
where:
Base-Base interactions energy: -366.578
where: short stacking energy: -147.861
Base-Backbone interact. energy: -1.127
local terms energy: -174.797410
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -45.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -542.527544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.527544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.527544 (E_RNA)
where:
Base-Base interactions energy: -367.542
where: short stacking energy: -161.622
Base-Backbone interact. energy: -0.161
local terms energy: -174.824846
where:
bonds (distance) C4'-P energy: -34.815
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -51.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -519.609177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.609177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.609177 (E_RNA)
where:
Base-Base interactions energy: -349.905
where: short stacking energy: -149.348
Base-Backbone interact. energy: -0.102
local terms energy: -169.602320
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -48.139
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: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -538.712908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.712908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.712908 (E_RNA)
where:
Base-Base interactions energy: -366.129
where: short stacking energy: -141.511
Base-Backbone interact. energy: -0.925
local terms energy: -171.658335
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -49.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -508.698302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.698302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.698302 (E_RNA)
where:
Base-Base interactions energy: -352.594
where: short stacking energy: -147.604
Base-Backbone interact. energy: -0.164
local terms energy: -155.940665
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -45.036
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: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -472.758904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.758904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.758904 (E_RNA)
where:
Base-Base interactions energy: -325.289
where: short stacking energy: -127.166
Base-Backbone interact. energy: 0.546
local terms energy: -148.015902
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -35.101
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: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -417.998311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.998311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.998311 (E_RNA)
where:
Base-Base interactions energy: -274.696
where: short stacking energy: -120.193
Base-Backbone interact. energy: -0.645
local terms energy: -142.657439
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -32.207
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: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -215.868211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.868211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.868211 (E_RNA)
where:
Base-Base interactions energy: -120.336
where: short stacking energy: -68.267
Base-Backbone interact. energy: 0.892
local terms energy: -96.424772
where:
bonds (distance) C4'-P energy: -27.578
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -201.226478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.226478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.226478 (E_RNA)
where:
Base-Base interactions energy: -93.020
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.229
local terms energy: -107.978027
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -143.807612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.807612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.807612 (E_RNA)
where:
Base-Base interactions energy: -49.044
where: short stacking energy: -38.512
Base-Backbone interact. energy: -0.895
local terms energy: -93.868156
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: 8.007
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: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -553.500218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.500218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.500218 (E_RNA)
where:
Base-Base interactions energy: -383.684
where: short stacking energy: -158.122
Base-Backbone interact. energy: -0.141
local terms energy: -169.675193
where:
bonds (distance) C4'-P energy: -34.710
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -45.912
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: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -543.552058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.552058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.552058 (E_RNA)
where:
Base-Base interactions energy: -360.300
where: short stacking energy: -153.973
Base-Backbone interact. energy: -1.967
local terms energy: -181.285148
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -38.801
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -55.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -528.669323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.669323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.669323 (E_RNA)
where:
Base-Base interactions energy: -361.801
where: short stacking energy: -146.894
Base-Backbone interact. energy: -0.080
local terms energy: -166.788817
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -45.187
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: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -531.242010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.242010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.242010 (E_RNA)
where:
Base-Base interactions energy: -370.723
where: short stacking energy: -146.763
Base-Backbone interact. energy: -0.981
local terms energy: -159.538168
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -44.827
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: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -506.396463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.396463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.396463 (E_RNA)
where:
Base-Base interactions energy: -340.578
where: short stacking energy: -155.336
Base-Backbone interact. energy: -1.535
local terms energy: -164.284175
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -47.559
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: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -462.861857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.861857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.861857 (E_RNA)
where:
Base-Base interactions energy: -320.182
where: short stacking energy: -129.252
Base-Backbone interact. energy: -0.493
local terms energy: -142.187282
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -39.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -414.150022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.150022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.150022 (E_RNA)
where:
Base-Base interactions energy: -274.488
where: short stacking energy: -119.916
Base-Backbone interact. energy: -0.243
local terms energy: -139.419778
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -23.093
tors. eta vs tors. theta energy: -31.613
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: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -213.321766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.321766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.321766 (E_RNA)
where:
Base-Base interactions energy: -109.202
where: short stacking energy: -73.503
Base-Backbone interact. energy: -1.575
local terms energy: -102.544001
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -9.143
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: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -168.409621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.409621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.409621 (E_RNA)
where:
Base-Base interactions energy: -69.801
where: short stacking energy: -47.511
Base-Backbone interact. energy: 1.779
local terms energy: -100.387372
where:
bonds (distance) C4'-P energy: -28.035
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: 2.702
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: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -162.681921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.681921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.681921 (E_RNA)
where:
Base-Base interactions energy: -65.657
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.565
local terms energy: -96.460080
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -4.344
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -558.633522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.633522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.633522 (E_RNA)
where:
Base-Base interactions energy: -396.746
where: short stacking energy: -162.079
Base-Backbone interact. energy: -0.900
local terms energy: -160.987582
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -44.519
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: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -549.292654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.292654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.292654 (E_RNA)
where:
Base-Base interactions energy: -361.853
where: short stacking energy: -159.284
Base-Backbone interact. energy: -0.951
local terms energy: -186.488551
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -35.214
flat angles P-C4'-P energy: -27.884
tors. eta vs tors. theta energy: -48.000
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: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -541.530166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.530166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.530166 (E_RNA)
where:
Base-Base interactions energy: -369.939
where: short stacking energy: -156.670
Base-Backbone interact. energy: -0.532
local terms energy: -171.059142
where:
bonds (distance) C4'-P energy: -35.648
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -48.754
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: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -519.081146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.081146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.081146 (E_RNA)
where:
Base-Base interactions energy: -353.773
where: short stacking energy: -152.328
Base-Backbone interact. energy: -1.205
local terms energy: -164.103970
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -44.552
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -497.801524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.801524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.801524 (E_RNA)
where:
Base-Base interactions energy: -339.935
where: short stacking energy: -140.882
Base-Backbone interact. energy: -0.259
local terms energy: -157.607995
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -32.858
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -40.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -450.050493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.050493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.050493 (E_RNA)
where:
Base-Base interactions energy: -295.613
where: short stacking energy: -124.891
Base-Backbone interact. energy: -0.809
local terms energy: -153.628638
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -43.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -437.071678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.071678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.071678 (E_RNA)
where:
Base-Base interactions energy: -300.198
where: short stacking energy: -127.936
Base-Backbone interact. energy: -1.004
local terms energy: -135.870020
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -35.299
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: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -224.031470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.031470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.031470 (E_RNA)
where:
Base-Base interactions energy: -136.091
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.471
local terms energy: -87.469882
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -170.701633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.701633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.701633 (E_RNA)
where:
Base-Base interactions energy: -69.831
where: short stacking energy: -36.441
Base-Backbone interact. energy: -2.142
local terms energy: -98.728151
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: 2.527
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: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -143.775428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.775428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.775428 (E_RNA)
where:
Base-Base interactions energy: -58.092
where: short stacking energy: -37.699
Base-Backbone interact. energy: -0.242
local terms energy: -85.441572
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: 5.190
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: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -572.759544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.759544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.759544 (E_RNA)
where:
Base-Base interactions energy: -400.956
where: short stacking energy: -162.153
Base-Backbone interact. energy: -0.091
local terms energy: -171.712347
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -42.850
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: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -526.515241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.515241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.515241 (E_RNA)
where:
Base-Base interactions energy: -358.273
where: short stacking energy: -148.228
Base-Backbone interact. energy: -0.182
local terms energy: -168.060885
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -43.511
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: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -524.341434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.341434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.341434 (E_RNA)
where:
Base-Base interactions energy: -357.403
where: short stacking energy: -162.026
Base-Backbone interact. energy: -0.596
local terms energy: -166.342105
where:
bonds (distance) C4'-P energy: -31.881
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -52.676
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: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -509.078329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.078329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.078329 (E_RNA)
where:
Base-Base interactions energy: -356.591
where: short stacking energy: -152.424
Base-Backbone interact. energy: -0.631
local terms energy: -151.856082
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -27.666
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: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -502.029173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.029173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.029173 (E_RNA)
where:
Base-Base interactions energy: -352.989
where: short stacking energy: -154.637
Base-Backbone interact. energy: -0.683
local terms energy: -148.357065
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -45.427
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -469.645545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.645545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.645545 (E_RNA)
where:
Base-Base interactions energy: -314.725
where: short stacking energy: -127.778
Base-Backbone interact. energy: -0.546
local terms energy: -154.374492
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -44.294
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: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -414.946444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.946444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.946444 (E_RNA)
where:
Base-Base interactions energy: -282.779
where: short stacking energy: -118.652
Base-Backbone interact. energy: -0.173
local terms energy: -131.995169
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -39.285
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: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -192.831175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.831175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.831175 (E_RNA)
where:
Base-Base interactions energy: -93.424
where: short stacking energy: -58.869
Base-Backbone interact. energy: -0.546
local terms energy: -98.860565
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: 2.311
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: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -161.041784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.041784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.041784 (E_RNA)
where:
Base-Base interactions energy: -55.558
where: short stacking energy: -44.642
Base-Backbone interact. energy: -0.620
local terms energy: -104.863509
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -152.861026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.861026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.861026 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -30.293
Base-Backbone interact. energy: 0.486
local terms energy: -122.524792
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -561.590777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.590777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.590777 (E_RNA)
where:
Base-Base interactions energy: -397.768
where: short stacking energy: -156.797
Base-Backbone interact. energy: -0.949
local terms energy: -162.874134
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -32.076
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -47.317
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: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -539.906174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.906174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.906174 (E_RNA)
where:
Base-Base interactions energy: -374.010
where: short stacking energy: -154.002
Base-Backbone interact. energy: -0.201
local terms energy: -165.695467
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -42.109
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: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -537.719436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.719436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.719436 (E_RNA)
where:
Base-Base interactions energy: -367.654
where: short stacking energy: -151.203
Base-Backbone interact. energy: -0.079
local terms energy: -169.986576
where:
bonds (distance) C4'-P energy: -33.143
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -44.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -519.412602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.412602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.412602 (E_RNA)
where:
Base-Base interactions energy: -356.164
where: short stacking energy: -158.323
Base-Backbone interact. energy: 0.865
local terms energy: -164.112743
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -37.123
flat angles P-C4'-P energy: -26.248
tors. eta vs tors. theta energy: -45.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -463.542632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.542632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.542632 (E_RNA)
where:
Base-Base interactions energy: -327.024
where: short stacking energy: -148.661
Base-Backbone interact. energy: -0.984
local terms energy: -135.534918
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -39.005
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: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -495.120632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.120632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.120632 (E_RNA)
where:
Base-Base interactions energy: -340.297
where: short stacking energy: -131.466
Base-Backbone interact. energy: -1.261
local terms energy: -153.562690
where:
bonds (distance) C4'-P energy: -27.212
bonds (distance) P-C4' energy: -28.958
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -42.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -423.850101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.850101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.850101 (E_RNA)
where:
Base-Base interactions energy: -284.016
where: short stacking energy: -120.840
Base-Backbone interact. energy: -0.999
local terms energy: -138.834845
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -38.188
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: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -212.996808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.996808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.996808 (E_RNA)
where:
Base-Base interactions energy: -117.881
where: short stacking energy: -76.875
Base-Backbone interact. energy: 0.309
local terms energy: -95.424798
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -154.216031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.216031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.216031 (E_RNA)
where:
Base-Base interactions energy: -47.278
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.663
local terms energy: -106.275472
where:
bonds (distance) C4'-P energy: -32.689
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -14.460
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: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -150.908114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.908114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.908114 (E_RNA)
where:
Base-Base interactions energy: -68.215
where: short stacking energy: -37.549
Base-Backbone interact. energy: -1.128
local terms energy: -81.565349
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -3.318
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: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -557.701660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.701660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.701660 (E_RNA)
where:
Base-Base interactions energy: -391.782
where: short stacking energy: -157.841
Base-Backbone interact. energy: -0.325
local terms energy: -165.594330
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -38.620
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -47.759
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: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -550.044620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.044620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.044620 (E_RNA)
where:
Base-Base interactions energy: -372.890
where: short stacking energy: -162.056
Base-Backbone interact. energy: -0.043
local terms energy: -177.110799
where:
bonds (distance) C4'-P energy: -34.679
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -43.353
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: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -530.906714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.906714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.906714 (E_RNA)
where:
Base-Base interactions energy: -361.826
where: short stacking energy: -147.489
Base-Backbone interact. energy: -0.821
local terms energy: -168.259595
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -518.519911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.519911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.519911 (E_RNA)
where:
Base-Base interactions energy: -340.017
where: short stacking energy: -145.837
Base-Backbone interact. energy: -2.084
local terms energy: -176.419089
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -40.129
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -46.846
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -472.595816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.595816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.595816 (E_RNA)
where:
Base-Base interactions energy: -318.760
where: short stacking energy: -131.750
Base-Backbone interact. energy: -0.173
local terms energy: -153.663197
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -37.140
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -40.576
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: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -494.603348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.603348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.603348 (E_RNA)
where:
Base-Base interactions energy: -324.635
where: short stacking energy: -133.054
Base-Backbone interact. energy: -0.112
local terms energy: -169.856228
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -41.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -422.354188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.354188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.354188 (E_RNA)
where:
Base-Base interactions energy: -281.110
where: short stacking energy: -133.568
Base-Backbone interact. energy: -0.439
local terms energy: -140.804996
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -27.648
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -42.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -222.347756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.347756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.347756 (E_RNA)
where:
Base-Base interactions energy: -114.021
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.397
local terms energy: -107.929460
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -21.033
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: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -156.454603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.454603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.454603 (E_RNA)
where:
Base-Base interactions energy: -57.846
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.495
local terms energy: -98.114010
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -4.938
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: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -146.661575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.661575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.661575 (E_RNA)
where:
Base-Base interactions energy: -54.692
where: short stacking energy: -45.068
Base-Backbone interact. energy: -1.055
local terms energy: -90.914911
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -0.385
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -559.742944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.742944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.742944 (E_RNA)
where:
Base-Base interactions energy: -381.533
where: short stacking energy: -157.189
Base-Backbone interact. energy: -0.638
local terms energy: -177.571817
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -37.628
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -50.885
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: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -544.860666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.860666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.860666 (E_RNA)
where:
Base-Base interactions energy: -365.188
where: short stacking energy: -148.169
Base-Backbone interact. energy: -0.222
local terms energy: -179.451276
where:
bonds (distance) C4'-P energy: -36.867
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -43.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -526.662786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.662786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.662786 (E_RNA)
where:
Base-Base interactions energy: -357.655
where: short stacking energy: -139.161
Base-Backbone interact. energy: -1.021
local terms energy: -167.986738
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -508.165775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.165775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.165775 (E_RNA)
where:
Base-Base interactions energy: -349.929
where: short stacking energy: -144.736
Base-Backbone interact. energy: -0.323
local terms energy: -157.912923
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -41.625
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: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -508.413773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.413773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.413773 (E_RNA)
where:
Base-Base interactions energy: -356.458
where: short stacking energy: -139.064
Base-Backbone interact. energy: -1.013
local terms energy: -150.942353
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -40.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -450.592775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.592775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.592775 (E_RNA)
where:
Base-Base interactions energy: -323.061
where: short stacking energy: -122.009
Base-Backbone interact. energy: -0.278
local terms energy: -127.253514
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -34.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -410.804089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.804089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.804089 (E_RNA)
where:
Base-Base interactions energy: -275.243
where: short stacking energy: -146.897
Base-Backbone interact. energy: 0.624
local terms energy: -136.184464
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -42.721
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: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -210.499417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.499417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.499417 (E_RNA)
where:
Base-Base interactions energy: -103.753
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.407
local terms energy: -106.339575
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -31.609
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -1.982
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: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -155.492793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.492793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.492793 (E_RNA)
where:
Base-Base interactions energy: -48.752
where: short stacking energy: -36.209
Base-Backbone interact. energy: 1.824
local terms energy: -108.563991
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: 3.669
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: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -148.481189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.481189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.481189 (E_RNA)
where:
Base-Base interactions energy: -53.669
where: short stacking energy: -50.281
Base-Backbone interact. energy: -0.809
local terms energy: -94.003120
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -33.767
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -567.752208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.752208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.752208 (E_RNA)
where:
Base-Base interactions energy: -390.764
where: short stacking energy: -162.949
Base-Backbone interact. energy: -1.464
local terms energy: -175.524413
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -45.882
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: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -551.851582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.851582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.851582 (E_RNA)
where:
Base-Base interactions energy: -382.605
where: short stacking energy: -153.628
Base-Backbone interact. energy: -0.294
local terms energy: -168.952488
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -47.117
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: 3, replica: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -536.702781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.702781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.702781 (E_RNA)
where:
Base-Base interactions energy: -357.215
where: short stacking energy: -150.456
Base-Backbone interact. energy: 0.560
local terms energy: -180.047783
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -36.226
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -52.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -511.338813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.338813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.338813 (E_RNA)
where:
Base-Base interactions energy: -353.253
where: short stacking energy: -151.880
Base-Backbone interact. energy: -0.033
local terms energy: -158.052614
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -35.379
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -485.283709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.283709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.283709 (E_RNA)
where:
Base-Base interactions energy: -332.814
where: short stacking energy: -137.390
Base-Backbone interact. energy: -0.622
local terms energy: -151.847196
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -42.565
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: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -445.198826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.198826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.198826 (E_RNA)
where:
Base-Base interactions energy: -303.707
where: short stacking energy: -113.843
Base-Backbone interact. energy: -0.137
local terms energy: -141.355182
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -33.848
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: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -395.764261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.764261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.764261 (E_RNA)
where:
Base-Base interactions energy: -253.182
where: short stacking energy: -125.142
Base-Backbone interact. energy: -0.305
local terms energy: -142.277023
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -27.899
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -33.202
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: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -159.909009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.909009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.909009 (E_RNA)
where:
Base-Base interactions energy: -55.697
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.279
local terms energy: -103.933544
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -184.983934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.983934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.983934 (E_RNA)
where:
Base-Base interactions energy: -73.736
where: short stacking energy: -47.690
Base-Backbone interact. energy: 1.325
local terms energy: -112.573198
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -144.466628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.466628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.466628 (E_RNA)
where:
Base-Base interactions energy: -49.885
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.845
local terms energy: -93.737407
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -0.243
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: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -555.696499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.696499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.696499 (E_RNA)
where:
Base-Base interactions energy: -392.720
where: short stacking energy: -153.867
Base-Backbone interact. energy: -0.086
local terms energy: -162.890467
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -25.452
tors. eta vs tors. theta energy: -42.316
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: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -546.720237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.720237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.720237 (E_RNA)
where:
Base-Base interactions energy: -375.240
where: short stacking energy: -151.305
Base-Backbone interact. energy: -0.160
local terms energy: -171.320096
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -26.408
tors. eta vs tors. theta energy: -44.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -520.423030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.423030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.423030 (E_RNA)
where:
Base-Base interactions energy: -352.402
where: short stacking energy: -145.817
Base-Backbone interact. energy: -0.818
local terms energy: -167.202936
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -38.662
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -45.487
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: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -524.361539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.361539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.361539 (E_RNA)
where:
Base-Base interactions energy: -350.845
where: short stacking energy: -153.904
Base-Backbone interact. energy: -0.047
local terms energy: -173.469360
where:
bonds (distance) C4'-P energy: -36.071
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -35.031
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -50.506
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: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -507.989997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.989997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.989997 (E_RNA)
where:
Base-Base interactions energy: -361.107
where: short stacking energy: -148.573
Base-Backbone interact. energy: -0.399
local terms energy: -146.484117
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -43.095
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: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -471.219860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.219860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.219860 (E_RNA)
where:
Base-Base interactions energy: -318.638
where: short stacking energy: -123.107
Base-Backbone interact. energy: -0.043
local terms energy: -152.538658
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -42.256
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: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -373.116134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.116134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.116134 (E_RNA)
where:
Base-Base interactions energy: -245.997
where: short stacking energy: -124.372
Base-Backbone interact. energy: -0.089
local terms energy: -127.029263
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -36.127
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: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -169.486703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.486703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.486703 (E_RNA)
where:
Base-Base interactions energy: -82.194
where: short stacking energy: -66.920
Base-Backbone interact. energy: 2.154
local terms energy: -89.446795
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -145.205474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.205474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.205474 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.721
local terms energy: -98.680607
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -183.431084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.431084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.431084 (E_RNA)
where:
Base-Base interactions energy: -90.193
where: short stacking energy: -42.645
Base-Backbone interact. energy: -1.580
local terms energy: -91.658065
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -0.821
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: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -553.506972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.506972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.506972 (E_RNA)
where:
Base-Base interactions energy: -381.474
where: short stacking energy: -158.223
Base-Backbone interact. energy: -0.653
local terms energy: -171.380521
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -46.537
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: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -544.343807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.343807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.343807 (E_RNA)
where:
Base-Base interactions energy: -382.111
where: short stacking energy: -157.681
Base-Backbone interact. energy: -0.102
local terms energy: -162.131107
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -44.942
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: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -517.516747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.516747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.516747 (E_RNA)
where:
Base-Base interactions energy: -343.110
where: short stacking energy: -143.977
Base-Backbone interact. energy: 0.963
local terms energy: -175.369295
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -43.428
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: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -512.218877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.218877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.218877 (E_RNA)
where:
Base-Base interactions energy: -348.766
where: short stacking energy: -150.574
Base-Backbone interact. energy: -1.369
local terms energy: -162.083653
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -40.365
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: 501
Temperature: 1.100000
Total energy: -507.282037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.282037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.282037 (E_RNA)
where:
Base-Base interactions energy: -341.046
where: short stacking energy: -145.639
Base-Backbone interact. energy: -1.197
local terms energy: -165.038809
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -47.436
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: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -458.822271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.822271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.822271 (E_RNA)
where:
Base-Base interactions energy: -312.463
where: short stacking energy: -123.506
Base-Backbone interact. energy: 0.690
local terms energy: -147.049769
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -39.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -407.286821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.286821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.286821 (E_RNA)
where:
Base-Base interactions energy: -265.220
where: short stacking energy: -121.466
Base-Backbone interact. energy: -0.435
local terms energy: -141.632256
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -35.275
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: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -164.951448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.951448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.951448 (E_RNA)
where:
Base-Base interactions energy: -58.318
where: short stacking energy: -55.275
Base-Backbone interact. energy: 1.583
local terms energy: -108.216091
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -7.203
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: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -156.941695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.941695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.941695 (E_RNA)
where:
Base-Base interactions energy: -66.408
where: short stacking energy: -49.264
Base-Backbone interact. energy: -0.332
local terms energy: -90.201559
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -0.102
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: 501
Temperature: 1.350000
Total energy: -183.721497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.721497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.721497 (E_RNA)
where:
Base-Base interactions energy: -92.202
where: short stacking energy: -57.846
Base-Backbone interact. energy: -0.818
local terms energy: -90.701482
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: 5.379
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 24990005
moves confirmed later: 27805124
all moves confirmed: 52795129
percent of confirmed moves: 6.599391
current total energy: -489.331304
recalc. total energy: -489.331304
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 31624716
moves confirmed later: 36571407
all moves confirmed: 68196123
percent of confirmed moves: 8.524515
current total energy: -481.852856
recalc. total energy: -481.852856
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 25334024
moves confirmed later: 28296528
all moves confirmed: 53630552
percent of confirmed moves: 6.703819
current total energy: -449.164124
recalc. total energy: -449.164124
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 25008116
moves confirmed later: 27966241
all moves confirmed: 52974357
percent of confirmed moves: 6.621795
current total energy: -467.673891
recalc. total energy: -467.673891
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 33577780
moves confirmed later: 39004029
all moves confirmed: 72581809
percent of confirmed moves: 9.072726
current total energy: -438.274802
recalc. total energy: -438.274802
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 48087353
moves confirmed later: 58182701
all moves confirmed: 106270054
percent of confirmed moves: 13.283757
current total energy: -420.732923
recalc. total energy: -420.732923
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 30605937
moves confirmed later: 35180141
all moves confirmed: 65786078
percent of confirmed moves: 8.223260
current total energy: -289.498711
recalc. total energy: -289.498711
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 44288391
moves confirmed later: 53271566
all moves confirmed: 97559957
percent of confirmed moves: 12.194995
current total energy: -85.349572
recalc. total energy: -85.349572
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 59224380
moves confirmed later: 72565798
all moves confirmed: 131790178
percent of confirmed moves: 16.473772
current total energy: -119.515574
recalc. total energy: -119.515574
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 49185365
moves confirmed later: 59365198
all moves confirmed: 108550563
percent of confirmed moves: 13.568820
current total energy: -80.164223
recalc. total energy: -80.164223
out arg RESULTS//1/Bmotif_short1-4680c2f0_01
Time of doing 8000000 iterations: 8262.512 seconds